data_2md0_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 2md0 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 121.198 0.523 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.544 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 51.0 p30 -76.48 148.72 37.01 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.239 -0.913 . . . . 0.0 108.571 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 136.08 54.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.841 -1.162 . . . . 0.0 110.095 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' NZ ' HD22 ' A' ' 17' ' ' ASN . 23.7 pttm -80.34 -27.12 38.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.593 -0.692 . . . . 0.0 109.296 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.57 HD22 ' NZ ' ' A' ' 16' ' ' LYS . 80.9 m-20 -91.02 -8.19 49.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.43 -0.794 . . . . 0.0 109.917 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -104.94 132.43 51.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.957 . . . . 0.0 108.94 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -79.9 84.93 5.59 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.231 -0.918 . . . . 0.0 108.934 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 m -70.67 -33.94 71.47 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.303 -0.873 . . . . 0.0 109.445 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.86 -49.42 77.55 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.433 -0.792 . . . . 0.0 108.877 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HG3' HD22 ' A' ' 26' ' ' ASN . 10.1 ttt85 -67.26 -44.13 80.13 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.354 -0.841 . . . . 0.0 109.343 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.8 m -63.89 -36.2 83.15 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 109.155 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.475 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 34.4 tp -65.93 -46.81 76.83 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.283 -0.886 . . . . 0.0 110.661 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 31.3 ptt180 -68.48 -24.88 64.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.03 -1.044 . . . . 0.0 108.74 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.508 HD22 ' HG3' ' A' ' 22' ' ' ARG . 92.4 m-20 -76.53 -2.67 33.5 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.95 23.14 62.23 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.246 -1.541 . . . . 0.0 109.246 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.412 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.8 t0 -58.17 -39.21 78.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.321 -1.105 . . . . 0.0 109.255 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 25.3 m -67.02 -20.95 65.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 108.813 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -93.66 -2.0 54.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.319 -0.863 . . . . 0.0 110.172 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -98.57 113.89 26.11 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.028 -1.045 . . . . 0.0 109.183 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -56.42 -34.0 66.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.157 -0.965 . . . . 0.0 109.167 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -65.42 -24.65 67.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.463 -0.773 . . . . 0.0 109.959 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 27.9 mttm -110.56 -3.15 16.1 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.099 -1.001 . . . . 0.0 109.581 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.27 -42.06 73.07 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.849 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -67.17 -39.58 86.49 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.29 -0.882 . . . . 0.0 108.763 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.25 -39.45 90.41 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.421 -0.799 . . . . 0.0 109.154 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.541 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.7 mmt -70.11 -46.4 64.9 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.694 -0.629 . . . . 0.0 110.483 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.89 -27.51 59.48 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.345 -1.902 . . . . 0.0 108.345 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -94.44 -53.27 3.98 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.718 -0.872 . . . . 0.0 110.38 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -80.16 -46.84 15.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.066 -1.021 . . . . 0.0 111.447 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.2 m -136.33 70.43 61.3 Favored Pre-proline 0 N--CA 1.489 1.482 0 O-C-N 120.693 -1.254 . . . . 0.0 110.869 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.81 -33.11 44.69 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.545 2.163 . . . . 0.0 111.233 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -78.42 -44.91 26.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.617 -0.677 . . . . 0.0 109.675 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.0 m -58.91 -38.87 79.91 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.407 -0.808 . . . . 0.0 110.952 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.541 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 69.7 m -85.89 -2.19 58.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.891 -1.13 . . . . 0.0 110.633 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.35 38.1 26.18 Favored Glycine 0 N--CA 1.49 2.281 0 C-N-CA 119.64 -1.267 . . . . 0.0 110.872 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.0 m-30 -107.8 -12.16 15.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.884 -1.362 . . . . 0.0 108.068 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.303 -1.415 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.197 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.435 0.636 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.511 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 88.0 m-20 -68.72 139.65 55.37 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.308 -0.87 . . . . 0.0 108.825 179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 139.51 54.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.156 -0.965 . . . . 0.0 109.565 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -83.23 -25.59 31.57 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.301 -0.874 . . . . 0.0 109.548 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -92.6 -4.02 54.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.945 . . . . 0.0 109.816 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -108.73 132.96 53.44 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.185 -0.947 . . . . 0.0 109.174 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -80.25 84.79 5.86 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.213 -0.93 . . . . 0.0 109.06 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.0 m -67.29 -34.58 77.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.309 -0.869 . . . . 0.0 108.973 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.73 -45.23 95.07 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.637 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.513 ' HG3' HD22 ' A' ' 26' ' ' ASN . 7.3 ttp180 -69.68 -47.61 62.64 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.34 -0.85 . . . . 0.0 109.524 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -63.46 -36.66 84.5 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.502 -0.749 . . . . 0.0 109.192 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.415 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 45.2 tp -63.74 -50.78 67.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.218 -0.926 . . . . 0.0 110.609 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 18.6 ptt180 -67.21 -25.09 65.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.09 -1.006 . . . . 0.0 109.124 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.513 HD22 ' HG3' ' A' ' 22' ' ' ARG . 94.0 m-20 -75.96 -3.03 33.28 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.46 25.39 59.01 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -60.89 -40.32 92.58 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.458 -1.025 . . . . 0.0 109.002 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.415 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 26.4 m -66.1 -20.69 66.24 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -96.74 2.87 52.46 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.423 -0.798 . . . . 0.0 109.869 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.447 HD21 ' HE3' ' A' ' 34' ' ' LYS . 50.3 t-20 -100.82 114.75 28.83 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 109.26 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -56.63 -34.1 66.94 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.355 -0.841 . . . . 0.0 109.246 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -67.49 -25.87 66.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.404 -0.81 . . . . 0.0 109.934 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HE3' HD21 ' A' ' 31' ' ' ASN . 75.6 mttt -109.41 -2.84 17.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.23 -0.919 . . . . 0.0 109.802 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.71 -46.8 67.51 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.536 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -65.54 -39.83 92.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -0.923 . . . . 0.0 109.183 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -58.38 -40.56 82.67 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.427 -0.795 . . . . 0.0 109.332 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.585 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.3 mmt -70.47 -45.3 65.99 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.433 -0.792 . . . . 0.0 110.162 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.99 -28.14 57.8 Favored Glycine 0 N--CA 1.483 1.81 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -94.88 -55.58 3.06 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.64 -0.918 . . . . 0.0 110.662 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -77.05 -47.61 20.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.174 -0.954 . . . . 0.0 111.027 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 38' ' ' MET . 9.7 m -134.96 71.5 69.35 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 120.679 -1.263 . . . . 0.0 110.824 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.94 -33.58 32.39 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.653 2.235 . . . . 0.0 111.624 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 81.9 t -78.88 -44.32 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.524 -0.735 . . . . 0.0 110.095 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.511 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 35.2 m -59.48 -38.86 81.93 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.368 -0.832 . . . . 0.0 110.608 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.585 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 93.3 m -85.69 -13.07 49.61 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.136 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.6 36.6 8.54 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.878 -1.153 . . . . 0.0 112.214 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.54 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 38.7 m-85 -104.66 -13.12 16.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.644 -1.503 . . . . 0.0 107.54 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.301 -1.501 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 121.359 0.599 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.536 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 81.6 m-20 -63.99 138.12 58.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.334 -0.854 . . . . 0.0 109.076 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.58 136.57 58.1 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.012 -1.055 . . . . 0.0 109.674 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -75.81 -28.99 58.54 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.204 -0.935 . . . . 0.0 109.91 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -91.96 -5.48 53.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.023 -1.048 . . . . 0.0 109.947 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.434 ' CE1' ' HE2' ' A' ' 38' ' ' MET . 38.3 t80 -103.82 133.11 49.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.131 -0.981 . . . . 0.0 109.115 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -82.12 84.75 6.93 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.247 -0.908 . . . . 0.0 108.734 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.6 m -67.37 -35.43 79.33 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.469 -0.77 . . . . 0.0 109.289 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.641 HH12 ' NH1' ' A' ' 25' ' ' ARG . 1.1 tmt_? -61.14 -46.12 91.86 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.542 0.687 . . . . 0.0 109.322 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.536 ' HG3' HD22 ' A' ' 26' ' ' ASN . 13.6 ttt180 -68.77 -46.96 67.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.123 -0.985 . . . . 0.0 109.678 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.5 m -64.42 -35.59 81.41 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.511 -0.743 . . . . 0.0 109.708 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 28.2 tp -65.61 -50.66 64.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.973 -1.079 . . . . 0.0 110.222 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.641 ' NH1' HH12 ' A' ' 21' ' ' ARG . 39.3 ptt180 -65.91 -22.74 66.52 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.984 -1.073 . . . . 0.0 108.611 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.536 HD22 ' HG3' ' A' ' 22' ' ' ARG . 92.2 m-20 -78.37 -2.02 36.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.543 -0.723 . . . . 0.0 109.709 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.47 20.28 69.46 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.402 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.0 t0 -59.26 -40.14 85.08 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.434 -1.039 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.476 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 42.0 m -66.8 -22.03 66.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 0.0 108.642 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -93.19 -1.01 56.71 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.513 -0.742 . . . . 0.0 110.185 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -98.34 115.1 27.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.991 -1.068 . . . . 0.0 109.369 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -56.57 -34.07 66.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -0.897 . . . . 0.0 109.376 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -67.11 -24.05 65.89 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.537 -0.727 . . . . 0.0 110.327 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 17.5 mttt -109.93 -2.16 17.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.205 -0.934 . . . . 0.0 110.074 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.2 -44.76 79.79 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.251 -0.905 . . . . 0.0 109.427 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.06 -41.39 95.18 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.275 -0.891 . . . . 0.0 109.157 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -61.93 -38.37 88.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.433 -0.792 . . . . 0.0 109.458 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.56 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.1 mmt -68.04 -45.22 74.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.356 -0.84 . . . . 0.0 109.462 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.98 -27.41 64.62 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.283 -1.927 . . . . 0.0 108.283 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 38.1 t80 -90.14 -50.02 6.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.745 -0.856 . . . . 0.0 109.87 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -83.64 -54.26 5.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.215 -0.928 . . . . 0.0 111.042 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.5 m -131.57 76.55 74.84 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 120.76 -1.213 . . . . 0.0 110.887 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.83 -32.42 22.86 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.381 2.054 . . . . 0.0 110.639 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.7 t -78.89 -43.33 24.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.55 -0.719 . . . . 0.0 109.422 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.536 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 55.6 m -58.04 -39.5 78.57 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.461 -0.774 . . . . 0.0 110.781 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.56 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 70.6 m -86.46 -4.2 59.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.102 -0.999 . . . . 0.0 110.852 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.26 38.55 14.7 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.841 -1.171 . . . . 0.0 111.088 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 14.7 m-30 -108.01 -14.94 14.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.985 -1.303 . . . . 0.0 107.965 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.375 0.607 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.549 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 47.1 p30 -74.21 145.7 43.92 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.232 -0.917 . . . . 0.0 109.135 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.5 134.53 51.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.001 -1.062 . . . . 0.0 109.474 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.686 ' HZ1' ' ND2' ' A' ' 17' ' ' ASN . 18.1 pttp -81.76 -25.6 35.18 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.426 -0.796 . . . . 0.0 109.47 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.686 ' ND2' ' HZ1' ' A' ' 16' ' ' LYS . 75.8 m-20 -88.17 -5.2 58.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.0 110.039 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -111.85 135.5 52.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.96 . . . . 0.0 109.016 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -79.96 85.27 5.59 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.214 -0.929 . . . . 0.0 108.612 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.8 m -68.62 -36.72 79.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 109.288 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.404 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.69 -46.53 90.03 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HG3' HD22 ' A' ' 26' ' ' ASN . 12.7 ttm180 -66.78 -47.99 70.42 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.208 -0.933 . . . . 0.0 109.212 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.7 m -62.79 -35.38 79.69 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.339 -0.851 . . . . 0.0 109.164 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 26.8 tp -64.59 -50.87 65.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.331 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.418 HH21 ' HE ' ' A' ' 22' ' ' ARG . 29.1 ptt180 -66.44 -25.05 66.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.011 -1.056 . . . . 0.0 108.771 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.489 HD22 ' HG3' ' A' ' 22' ' ' ARG . 97.1 m-20 -75.45 -1.35 23.65 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.03 22.11 72.23 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.42 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.6 t0 -57.71 -38.67 75.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.282 -1.128 . . . . 0.0 108.993 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.406 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 34.7 m -66.48 -20.28 66.0 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -95.84 3.2 53.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.47 -0.768 . . . . 0.0 109.957 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -101.12 114.33 28.18 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.079 -1.013 . . . . 0.0 109.3 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -55.29 -34.82 64.46 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.511 -0.743 . . . . 0.0 109.095 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -67.7 -26.1 66.0 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.641 -0.662 . . . . 0.0 110.343 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 12.9 mttm -108.41 -2.56 18.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.136 -0.977 . . . . 0.0 109.627 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.4 mt -56.02 -46.99 78.63 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.194 -0.941 . . . . 0.0 109.406 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.36 -39.74 94.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.076 -1.015 . . . . 0.0 108.964 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -61.33 -39.1 89.28 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.379 -0.826 . . . . 0.0 109.414 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.558 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.3 mmt -69.26 -44.88 71.03 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.29 -0.881 . . . . 0.0 109.932 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.66 -24.39 56.88 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 30.8 t80 -94.94 -54.92 3.27 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.755 -0.85 . . . . 0.0 110.305 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -77.82 -54.75 5.97 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.181 -0.95 . . . . 0.0 110.587 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.2 m -129.88 74.14 80.87 Favored Pre-proline 0 N--CA 1.487 1.418 0 O-C-N 120.922 -1.111 . . . . 0.0 111.139 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.46 -33.22 38.14 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.723 2.282 . . . . 0.0 111.195 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.7 t -78.69 -43.01 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.557 -0.715 . . . . 0.0 109.595 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.3 m -59.27 -38.29 79.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.516 -0.74 . . . . 0.0 110.92 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.558 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 62.3 m -86.53 -3.16 58.98 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.985 -1.072 . . . . 0.0 110.692 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.69 39.33 17.93 Favored Glycine 0 N--CA 1.49 2.264 0 C-N-CA 119.888 -1.148 . . . . 0.0 110.858 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.8 m-30 -110.39 -14.58 14.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.079 -1.248 . . . . 0.0 108.594 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.3 -1.575 0 O-C-N 121.576 -0.702 . . . . 0.0 109.567 179.661 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 121.332 0.587 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 43.1 p30 -67.74 139.03 56.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.337 -0.852 . . . . 0.0 109.199 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 138.8 58.26 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.919 -1.113 . . . . 0.0 109.743 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.512 ' HZ1' ' ND2' ' A' ' 17' ' ' ASN . 25.7 pttm -84.23 -26.28 28.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.174 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.512 ' ND2' ' HZ1' ' A' ' 16' ' ' LYS . 78.2 m-20 -90.12 -7.57 53.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.441 -0.787 . . . . 0.0 110.508 -179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -109.08 131.49 55.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.879 -1.138 . . . . 0.0 108.985 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -78.0 85.94 4.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.323 -0.86 . . . . 0.0 109.492 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -68.47 -35.87 78.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.377 -0.827 . . . . 0.0 109.215 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.438 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -56.94 -42.34 79.87 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.466 ' HG3' HD22 ' A' ' 26' ' ' ASN . 20.9 ttt-85 -68.62 -47.13 67.45 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.71 -0.619 . . . . 0.0 109.619 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.528 ' HG ' ' N ' ' A' ' 24' ' ' LEU . 79.9 p -67.89 -35.02 77.77 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.384 -0.823 . . . . 0.0 109.053 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.528 ' N ' ' HG ' ' A' ' 23' ' ' SER . 28.0 tp -64.69 -49.36 71.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.413 -0.804 . . . . 0.0 110.391 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 44.2 ptt85 -68.07 -26.23 65.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.2 -0.937 . . . . 0.0 109.259 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.466 HD22 ' HG3' ' A' ' 22' ' ' ARG . 95.9 m-20 -75.81 -1.79 26.86 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.445 -0.785 . . . . 0.0 108.946 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.4 22.6 62.27 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.9 -40.18 79.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -1.166 . . . . 0.0 109.681 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.469 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 30.9 m -63.81 -20.05 65.48 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -96.02 1.91 53.01 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.56 -0.713 . . . . 0.0 110.929 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -102.64 115.69 31.09 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.946 -1.096 . . . . 0.0 109.591 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -56.9 -33.4 66.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.288 -0.882 . . . . 0.0 109.236 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.85 -22.68 64.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.274 -0.891 . . . . 0.0 110.247 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -111.03 -1.87 16.13 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.969 -1.082 . . . . 0.0 109.843 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 mt -56.68 -43.81 80.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.183 -0.948 . . . . 0.0 109.351 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.75 -38.05 85.85 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.099 -1.001 . . . . 0.0 108.928 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -60.84 -40.75 94.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.329 -0.857 . . . . 0.0 109.126 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.482 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.9 mmt -70.87 -44.88 65.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.329 -0.857 . . . . 0.0 109.846 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.0 -28.57 58.34 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 108.158 -1.977 . . . . 0.0 108.158 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -94.07 -53.28 4.03 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.774 -0.839 . . . . 0.0 110.64 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -80.56 -48.99 11.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.093 -1.004 . . . . 0.0 111.063 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.9 m -134.87 72.54 68.22 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 120.646 -1.284 . . . . 0.0 110.995 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' MET . 47.0 Cg_endo -69.57 -33.59 17.01 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.473 2.116 . . . . 0.0 111.147 178.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -77.31 -42.34 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.646 -0.659 . . . . 0.0 109.373 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.9 m -60.97 -38.45 86.01 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.556 -0.715 . . . . 0.0 110.946 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 56.5 m -86.36 -1.95 57.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.946 -1.096 . . . . 0.0 110.629 -178.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.26 37.07 25.58 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 120.21 -0.995 . . . . 0.0 111.144 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.5 m-30 -106.36 -15.64 14.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.758 -1.436 . . . . 0.0 108.249 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.299 -1.589 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.41 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 121.455 0.645 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.569 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 55.3 p30 -76.32 148.61 37.37 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.294 -0.879 . . . . 0.0 109.348 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.16 138.09 58.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.024 -1.047 . . . . 0.0 109.551 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -87.33 -25.83 23.69 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -87.91 -6.8 57.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.574 -0.704 . . . . 0.0 109.839 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -110.56 129.88 55.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.114 -0.991 . . . . 0.0 109.347 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -75.97 84.12 2.87 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.193 -0.942 . . . . 0.0 108.562 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' LEU . 30.2 m -66.07 -34.17 77.46 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 0.0 108.871 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.414 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.05 -43.84 91.74 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.624 -0.672 . . . . 0.0 109.215 179.618 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 21.8 ttt-85 -68.28 -46.94 69.01 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.259 -0.901 . . . . 0.0 109.402 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.7 p -66.37 -34.16 77.34 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.23 -0.919 . . . . 0.0 109.063 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.463 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 29.0 tp -65.35 -49.93 67.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.882 . . . . 0.0 110.007 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 22.9 ptt180 -66.21 -24.71 66.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.126 -0.984 . . . . 0.0 108.954 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.46 HD22 ' HG3' ' A' ' 22' ' ' ARG . 97.3 m-20 -77.4 -1.39 29.89 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.58 -0.7 . . . . 0.0 109.424 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 21.05 66.1 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -57.43 -39.76 76.91 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.279 -1.13 . . . . 0.0 109.375 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.463 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 50.4 m -64.91 -21.53 66.84 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -95.36 0.5 53.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.631 -0.668 . . . . 0.0 110.097 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.413 ' ND2' ' HE3' ' A' ' 34' ' ' LYS . 48.9 t-20 -99.17 113.37 25.58 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.004 -1.06 . . . . 0.0 109.072 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -56.77 -34.13 67.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 109.147 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -66.38 -24.51 66.5 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.52 -0.738 . . . . 0.0 110.15 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HE3' ' ND2' ' A' ' 31' ' ' ASN . 24.5 mttt -110.58 -3.49 15.92 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.084 -1.01 . . . . 0.0 109.777 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -52.85 -46.2 67.73 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.227 -0.92 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.23 -37.51 85.69 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.886 . . . . 0.0 108.658 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -60.54 -40.17 90.58 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.484 -0.76 . . . . 0.0 109.417 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.564 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.3 mmt -72.0 -45.46 60.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.104 -0.997 . . . . 0.0 109.393 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.61 -27.72 49.6 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.123 -1.991 . . . . 0.0 108.123 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -95.13 -53.29 3.86 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.906 -0.761 . . . . 0.0 110.125 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -78.52 -48.38 15.39 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 110.914 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.5 m -137.43 75.41 45.34 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 120.753 -1.217 . . . . 0.0 110.994 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.01 -34.25 29.62 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.375 2.05 . . . . 0.0 111.281 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.5 t -78.83 -42.37 24.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.442 -0.786 . . . . 0.0 109.519 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.4 m -57.51 -39.8 77.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.326 -0.859 . . . . 0.0 110.52 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.564 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 59.3 m -86.48 -0.61 56.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.978 -1.076 . . . . 0.0 111.015 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.25 35.72 37.05 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 119.693 -1.241 . . . . 0.0 110.573 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.1 m-30 -104.85 -14.49 15.48 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.19 -1.182 . . . . 0.0 108.232 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.301 -1.536 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.307 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.288 0.566 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.467 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 86.9 m-20 -72.13 138.54 47.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.325 -0.859 . . . . 0.0 109.202 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.26 140.09 56.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.008 -1.057 . . . . 0.0 109.176 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -86.14 -25.25 25.85 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.305 -0.872 . . . . 0.0 109.919 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.27 -13.36 38.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.061 -1.024 . . . . 0.0 109.788 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -107.27 129.13 54.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.142 -0.974 . . . . 0.0 108.739 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -79.24 107.18 11.81 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.155 -0.966 . . . . 0.0 108.773 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' LEU . 9.0 m -80.98 -34.95 32.66 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.755 -0.591 . . . . 0.0 109.563 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -43.99 94.18 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.181 -0.949 . . . . 0.0 108.586 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' HG3' HD22 ' A' ' 26' ' ' ASN . 16.9 ttt180 -66.05 -47.35 74.63 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.288 -0.883 . . . . 0.0 109.563 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.3 p -67.78 -34.68 77.27 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.222 -0.924 . . . . 0.0 109.237 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.489 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 27.6 tp -64.66 -50.5 66.8 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.257 -0.902 . . . . 0.0 110.091 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 36.0 ptt180 -66.41 -24.31 66.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 109.206 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.495 HD22 ' HG3' ' A' ' 22' ' ' ARG . 97.2 m-20 -78.08 -2.14 35.88 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.521 -0.737 . . . . 0.0 109.396 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.7 22.35 62.07 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.9 t0 -60.31 -38.76 84.69 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.361 -1.082 . . . . 0.0 109.391 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 22.3 m -67.41 -20.9 65.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.044 -1.035 . . . . 0.0 108.704 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -94.52 0.69 55.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.412 -0.805 . . . . 0.0 109.962 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -100.77 114.4 28.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.085 -1.009 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -57.42 -33.93 68.4 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.349 -0.844 . . . . 0.0 109.234 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -67.94 -22.96 65.02 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.458 -0.776 . . . . 0.0 109.925 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 18.2 mttm -111.13 -1.51 16.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.208 -0.933 . . . . 0.0 109.657 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.4 mt -56.87 -45.32 82.57 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.357 -0.839 . . . . 0.0 109.16 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.19 -38.03 89.2 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.439 -0.788 . . . . 0.0 109.072 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -61.92 -41.62 98.14 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.357 -0.839 . . . . 0.0 109.147 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.555 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.9 mmt -69.62 -45.24 68.97 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.177 -0.952 . . . . 0.0 109.869 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.07 -27.66 60.15 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 29.5 t80 -94.16 -49.16 5.88 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.604 -0.939 . . . . 0.0 110.102 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -82.94 -52.69 6.45 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.236 -0.915 . . . . 0.0 110.879 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 19.1 m -131.14 71.66 81.97 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 120.873 -1.142 . . . . 0.0 110.96 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.71 -34.02 42.39 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.463 2.109 . . . . 0.0 111.597 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.9 t -78.25 -42.85 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.585 -0.697 . . . . 0.0 110.054 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.467 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 63.6 m -61.31 -36.51 80.3 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -0.975 . . . . 0.0 110.925 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.555 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 58.4 m -86.56 -5.86 59.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.932 -1.105 . . . . 0.0 110.296 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.35 35.56 22.98 Favored Glycine 0 N--CA 1.493 2.463 0 C-N-CA 119.829 -1.176 . . . . 0.0 110.918 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.7 m-30 -105.65 -11.61 16.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.79 -1.418 . . . . 0.0 107.999 178.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.301 -1.543 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.328 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.065 0.459 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.439 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 79.1 m-20 -70.95 140.55 50.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.89 . . . . 0.0 109.296 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 135.01 57.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.035 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -82.09 -20.76 37.49 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.173 -0.954 . . . . 0.0 109.688 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -94.34 -6.48 44.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.165 -0.959 . . . . 0.0 110.421 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -108.49 129.82 55.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.106 -0.996 . . . . 0.0 109.532 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -75.82 85.25 2.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 108.966 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.3 m -69.63 -34.69 74.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.481 -0.762 . . . . 0.0 109.435 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -44.21 91.1 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.49 ' HG3' HD22 ' A' ' 26' ' ' ASN . 25.8 ttt-85 -67.95 -47.64 68.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.517 -0.739 . . . . 0.0 109.795 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.1 p -65.27 -35.16 80.19 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.199 -0.938 . . . . 0.0 109.343 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.409 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 25.1 tp -64.55 -51.7 61.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.55 -0.719 . . . . 0.0 109.918 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 23.2 ptt180 -65.65 -23.91 66.9 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.228 -0.92 . . . . 0.0 109.005 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.49 HD22 ' HG3' ' A' ' 22' ' ' ARG . 97.4 m-20 -78.21 -1.04 30.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.335 -0.853 . . . . 0.0 109.497 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.08 22.23 66.13 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -60.06 -41.25 91.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.403 -1.057 . . . . 0.0 109.696 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.409 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 32.4 m -64.25 -20.21 65.9 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.095 -1.003 . . . . 0.0 108.876 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -96.16 2.05 52.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.421 -0.799 . . . . 0.0 110.093 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.41 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 50.2 t-20 -100.31 113.74 26.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.148 -0.97 . . . . 0.0 109.187 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -55.92 -33.77 64.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.299 -0.876 . . . . 0.0 109.205 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -67.33 -23.41 65.62 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.641 -0.662 . . . . 0.0 110.469 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HG3' ' ND2' ' A' ' 31' ' ' ASN . 22.1 mttt -111.73 -1.08 15.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.174 -0.954 . . . . 0.0 109.809 -179.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.4 mt -58.48 -43.96 89.17 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.405 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.9 -40.12 91.22 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.249 -0.907 . . . . 0.0 108.918 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.73 -38.83 89.37 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.416 -0.802 . . . . 0.0 108.997 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.568 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 36.3 mmt -68.55 -47.82 65.87 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.378 -0.826 . . . . 0.0 109.801 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.79 -23.71 51.38 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -93.18 -52.17 4.68 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.853 -0.792 . . . . 0.0 110.468 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -82.15 -56.57 3.85 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.129 -0.982 . . . . 0.0 111.035 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.5 m -128.54 73.78 80.44 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 120.941 -1.099 . . . . 0.0 110.963 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.99 -32.46 53.9 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.395 2.063 . . . . 0.0 111.009 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.3 t -80.09 -44.36 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.557 -0.714 . . . . 0.0 109.708 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.439 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 61.7 m -56.54 -38.06 71.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.148 -0.97 . . . . 0.0 110.314 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.568 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 63.5 m -86.3 -5.85 59.09 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.041 -1.037 . . . . 0.0 110.443 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.29 34.95 27.94 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.26 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 18.0 m-85 -104.23 -16.72 15.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.61 -1.524 . . . . 0.0 108.006 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.298 -1.644 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.345 -179.659 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.303 0.573 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.514 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.0 m-20 -74.15 140.57 45.28 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.289 -0.882 . . . . 0.0 109.302 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 136.33 57.23 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.215 -0.928 . . . . 0.0 108.902 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -82.61 -26.69 32.03 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.271 -0.893 . . . . 0.0 109.173 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -90.45 -4.85 56.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.445 -0.784 . . . . 0.0 110.159 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -107.72 128.9 54.98 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.053 -1.029 . . . . 0.0 109.224 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -76.27 84.91 3.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.125 -0.985 . . . . 0.0 108.531 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -69.82 -35.52 74.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.4 -0.812 . . . . 0.0 109.455 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.45 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -57.08 -44.61 83.27 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.485 ' HG3' HD22 ' A' ' 26' ' ' ASN . 20.3 ttt-85 -68.01 -46.82 70.19 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.344 -0.847 . . . . 0.0 109.847 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.7 p -66.19 -34.23 77.56 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.187 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 27.9 tp -65.88 -49.58 67.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.324 -0.86 . . . . 0.0 110.592 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 27.3 ptt180 -68.02 -21.15 65.05 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.076 -1.015 . . . . 0.0 109.127 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.485 HD22 ' HG3' ' A' ' 22' ' ' ARG . 96.3 m-20 -80.4 -2.97 47.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.584 -0.698 . . . . 0.0 109.269 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.5 20.48 61.96 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 22.5 t0 -58.52 -40.26 82.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -1.116 . . . . 0.0 109.623 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.501 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 27.4 m -66.79 -18.42 65.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.129 -0.982 . . . . 0.0 108.848 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -98.05 0.63 46.56 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.427 -0.796 . . . . 0.0 110.269 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -99.08 116.2 30.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.183 -0.948 . . . . 0.0 109.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 35' ' ' LEU . 85.5 m-20 -58.02 -34.21 69.79 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.08 -1.012 . . . . 0.0 109.238 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -65.93 -24.73 66.89 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.375 -0.828 . . . . 0.0 110.033 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.434 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 40.6 mttt -110.7 -1.44 16.72 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.097 -1.002 . . . . 0.0 109.876 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 32' ' ' ASP . 12.6 mt -53.87 -45.53 71.04 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.231 -0.918 . . . . 0.0 109.455 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -66.26 -36.89 84.16 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.275 -0.891 . . . . 0.0 109.434 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.12 -40.92 97.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.193 -0.942 . . . . 0.0 109.435 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.659 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 36.9 mmt -70.14 -45.8 66.07 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.396 -0.815 . . . . 0.0 109.882 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.17 -26.95 56.94 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -94.39 -55.38 3.19 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.571 -0.958 . . . . 0.0 110.839 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -78.15 -48.82 15.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.244 -0.91 . . . . 0.0 110.787 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.3 m -132.52 72.6 77.79 Favored Pre-proline 0 N--CA 1.489 1.487 0 C-N-CA 119.196 -1.002 . . . . 0.0 110.706 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.49 -34.32 26.5 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.355 2.037 . . . . 0.0 111.204 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.9 t -79.13 -44.22 24.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.686 -0.634 . . . . 0.0 109.57 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.514 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 54.8 m -56.86 -39.43 74.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.561 -0.712 . . . . 0.0 110.724 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.659 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 76.4 m -86.09 -13.23 47.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.087 -1.008 . . . . 0.0 110.499 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.57 34.9 9.78 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.748 -1.215 . . . . 0.0 111.766 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.501 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 38.8 m-85 -102.5 -14.8 16.67 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.788 -1.419 . . . . 0.0 107.41 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.299 -1.6 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 121.373 0.606 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.549 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.9 m-20 -66.99 134.84 52.77 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.35 -0.844 . . . . 0.0 109.111 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 138.97 55.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.207 -0.933 . . . . 0.0 109.401 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.801 ' NZ ' HD22 ' A' ' 17' ' ' ASN . 8.7 pttm -85.46 -22.26 28.34 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.364 -0.835 . . . . 0.0 109.221 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.801 HD22 ' NZ ' ' A' ' 16' ' ' LYS . 64.5 m-80 -88.88 -10.36 48.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.231 -0.918 . . . . 0.0 109.042 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -107.92 133.92 51.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.021 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -81.4 86.34 6.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.001 -1.062 . . . . 0.0 108.718 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -68.39 -36.52 79.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.203 -0.936 . . . . 0.0 109.874 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.414 ' CD ' ' C ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.28 -45.32 91.55 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.419 ' HG3' HD22 ' A' ' 26' ' ' ASN . 16.6 ttt-85 -69.32 -47.24 65.01 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.185 -0.947 . . . . 0.0 109.188 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -61.89 -37.64 85.35 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.335 -0.853 . . . . 0.0 109.597 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.489 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 40.9 tp -62.59 -49.29 75.82 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.291 -0.88 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 8.3 ptm180 -67.24 -22.73 65.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.963 -1.086 . . . . 0.0 108.872 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.419 HD22 ' HG3' ' A' ' 22' ' ' ARG . 95.7 m-20 -77.79 -1.51 31.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.504 -0.748 . . . . 0.0 109.33 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.43 22.42 64.89 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.448 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 19.8 t0 -59.19 -40.26 85.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -1.061 . . . . 0.0 109.072 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 21.2 m -67.03 -21.06 65.94 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -94.59 -0.77 54.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.409 -0.807 . . . . 0.0 110.132 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.413 HD21 ' HE3' ' A' ' 34' ' ' LYS . 59.6 t-20 -98.95 114.5 27.16 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.892 -1.13 . . . . 0.0 109.24 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -57.23 -32.28 66.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 0.0 109.029 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -68.51 -22.07 64.55 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.698 -0.626 . . . . 0.0 110.326 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.448 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 32.4 mttt -113.16 -2.11 14.2 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.089 -1.007 . . . . 0.0 109.41 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.0 mt -55.7 -44.31 77.3 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.251 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.15 -38.6 91.12 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.252 -0.905 . . . . 0.0 108.841 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -61.93 -39.0 90.55 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.323 -0.861 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.542 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.4 mmt -70.67 -48.28 55.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.485 -0.76 . . . . 0.0 109.707 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.37 -26.33 50.91 Favored Glycine 0 N--CA 1.485 1.952 0 N-CA-C 108.265 -1.934 . . . . 0.0 108.265 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -95.27 -54.39 3.43 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.49 -1.006 . . . . 0.0 110.599 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -80.93 -48.54 12.18 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.103 -0.998 . . . . 0.0 111.071 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.3 m -131.83 69.45 81.06 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 120.99 -1.069 . . . . 0.0 110.779 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' MET . 40.2 Cg_endo -67.47 -33.95 27.7 Favored 'Trans proline' 0 C--N 1.303 -1.86 0 C-N-CA 122.424 2.083 . . . . 0.0 111.668 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.0 t -78.61 -41.84 25.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.52 -0.737 . . . . 0.0 110.039 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.549 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 33.9 m -61.83 -38.25 87.49 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.251 -0.906 . . . . 0.0 110.712 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.542 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 67.4 m -85.8 0.33 53.22 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.158 -0.964 . . . . 0.0 110.636 -178.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.43 38.75 32.47 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 120.015 -1.088 . . . . 0.0 110.726 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -109.15 -12.47 14.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.181 -1.188 . . . . 0.0 108.224 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.645 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.194 0.521 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.603 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 50.2 p30 -75.81 138.96 41.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.039 -1.038 . . . . 0.0 108.823 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.566 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -59.78 140.91 56.19 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.034 -1.041 . . . . 0.0 109.798 -179.499 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -85.8 -25.26 26.43 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.239 -0.913 . . . . 0.0 109.376 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -86.72 -2.92 58.93 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.223 -0.923 . . . . 0.0 109.503 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.401 ' CE1' ' HE3' ' A' ' 38' ' ' MET . 46.0 t80 -113.2 132.58 55.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.452 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -79.78 84.98 5.51 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.099 -1.0 . . . . 0.0 108.783 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.2 m -71.67 -36.18 70.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.512 -0.742 . . . . 0.0 109.797 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.461 ' CD ' ' C ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.08 -48.16 82.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.287 -0.883 . . . . 0.0 108.888 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' HG3' HD22 ' A' ' 26' ' ' ASN . 10.8 ttm180 -68.26 -46.12 71.3 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.212 -0.93 . . . . 0.0 109.551 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -62.17 -35.74 79.75 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.22 -0.925 . . . . 0.0 109.073 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 41.1 tp -65.46 -47.37 76.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.466 -0.771 . . . . 0.0 110.394 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.487 HH21 ' HE ' ' A' ' 22' ' ' ARG . 40.9 ptt85 -69.68 -19.41 63.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.932 -1.105 . . . . 0.0 109.019 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.51 HD22 ' HG3' ' A' ' 22' ' ' ARG . 93.6 m-20 -82.14 -1.04 47.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.418 -0.802 . . . . 0.0 109.246 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.72 23.58 59.77 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.4 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 14.5 t0 -59.54 -40.49 87.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.229 -1.159 . . . . 0.0 109.222 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.456 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 30.3 m -65.42 -20.31 66.31 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.34 -0.85 . . . . 0.0 108.818 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -96.18 -1.12 48.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.515 -0.74 . . . . 0.0 110.135 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -98.7 114.28 26.71 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.011 -1.055 . . . . 0.0 109.057 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -56.94 -34.38 67.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 109.547 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.55 -23.21 65.4 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.514 -0.741 . . . . 0.0 109.896 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 19.5 mttt -109.8 -1.71 17.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.116 -0.99 . . . . 0.0 109.762 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.5 mt -56.4 -44.05 79.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.124 -0.985 . . . . 0.0 109.717 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.65 -40.41 92.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.124 -0.985 . . . . 0.0 109.006 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' TYR . 88.1 mt-10 -59.65 -39.56 84.83 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.352 -0.842 . . . . 0.0 109.098 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.524 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.22 -46.7 63.99 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.203 -0.936 . . . . 0.0 109.73 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.59 -28.28 56.01 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 33.7 t80 -94.44 -56.81 2.68 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.778 -0.836 . . . . 0.0 110.065 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.559 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 84.4 m-85 -77.28 -42.85 35.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.0 111.298 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.505 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -139.63 71.34 37.4 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 120.504 -1.373 . . . . 0.0 111.488 -178.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.12 -34.8 27.23 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.514 2.143 . . . . 0.0 111.571 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.2 t -77.69 -43.87 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.517 -0.739 . . . . 0.0 109.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.8 m -59.4 -39.24 82.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.419 -0.801 . . . . 0.0 110.908 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 64.4 m -86.65 -0.48 56.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.994 -1.066 . . . . 0.0 110.881 -178.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.11 36.95 33.81 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.68 -1.248 . . . . 0.0 110.461 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.4 m-30 -106.75 -11.23 15.85 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.961 -1.317 . . . . 0.0 108.561 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.301 -1.534 0 O-C-N 121.523 -0.736 . . . . 0.0 109.421 179.323 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.477 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 85.7 m-20 -70.27 139.51 52.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.197 -0.939 . . . . 0.0 109.408 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -61.34 141.05 57.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.077 -1.014 . . . . 0.0 109.625 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -85.48 -24.66 27.28 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.435 -0.79 . . . . 0.0 109.845 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.79 -2.92 58.84 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.272 -0.893 . . . . 0.0 109.648 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -112.97 136.0 53.12 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.441 -0.787 . . . . 0.0 109.422 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -82.73 84.98 7.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.127 -0.983 . . . . 0.0 109.193 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -69.29 -37.07 77.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.218 -0.926 . . . . 0.0 109.541 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.422 ' C ' ' CD ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -58.83 -45.62 89.58 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.485 ' HG3' HD22 ' A' ' 26' ' ' ASN . 13.4 ttt180 -70.1 -44.59 68.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.339 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.0 m -64.16 -36.64 84.72 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.346 -0.847 . . . . 0.0 109.538 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.428 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 29.4 tp -63.32 -49.05 75.48 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.143 -0.973 . . . . 0.0 110.304 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 28.5 ptt180 -68.13 -23.55 64.91 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.11 -0.994 . . . . 0.0 109.094 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.485 HD22 ' HG3' ' A' ' 22' ' ' ARG . 97.5 m-20 -77.1 -2.16 32.79 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.66 20.85 67.68 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 108.871 -1.692 . . . . 0.0 108.871 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.43 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 14.5 t0 -57.94 -39.68 78.65 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.389 -1.065 . . . . 0.0 109.195 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.428 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 34.2 m -66.31 -19.53 65.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.876 . . . . 0.0 108.684 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -98.28 2.35 48.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.481 -0.762 . . . . 0.0 110.27 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.486 HD21 ' HE3' ' A' ' 34' ' ' LYS . 55.0 t-20 -100.4 116.66 32.89 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.126 -0.983 . . . . 0.0 109.671 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -57.5 -34.82 69.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.397 -0.814 . . . . 0.0 108.938 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -66.35 -27.92 68.26 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.63 -0.668 . . . . 0.0 110.196 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HE3' HD21 ' A' ' 31' ' ' ASN . 65.4 mttt -108.37 -2.71 18.91 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.099 -1.0 . . . . 0.0 110.019 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 mt -51.79 -44.74 63.55 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.201 -0.937 . . . . 0.0 109.239 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.84 -38.35 83.07 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.195 -0.94 . . . . 0.0 109.259 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.75 -39.43 88.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.199 -0.938 . . . . 0.0 109.074 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.594 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -71.16 -47.93 54.84 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.219 -0.925 . . . . 0.0 109.852 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.51 -28.82 45.98 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.504 -1.838 . . . . 0.0 108.504 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -94.96 -56.93 2.58 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.545 -0.973 . . . . 0.0 110.321 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.543 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 69.5 m-85 -74.84 -40.29 61.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.179 -0.95 . . . . 0.0 111.249 -178.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.1 m -142.28 69.97 22.19 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 120.707 -1.246 . . . . 0.0 111.094 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -65.46 -33.45 46.76 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.595 2.197 . . . . 0.0 111.735 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.6 t -80.5 -43.85 21.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.488 -0.758 . . . . 0.0 110.34 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.477 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 41.6 m -59.46 -38.53 80.99 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.255 -0.903 . . . . 0.0 110.711 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.594 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 93.2 m -85.96 -11.5 52.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.922 -1.111 . . . . 0.0 110.613 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.53 41.01 7.51 Favored Glycine 0 N--CA 1.491 2.32 0 C-N-CA 119.734 -1.222 . . . . 0.0 111.854 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.549 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 38.1 m-85 -108.12 -15.93 14.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.829 -1.395 . . . . 0.0 108.059 177.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.299 -1.591 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.92 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 121.317 0.58 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 51.6 p30 -65.64 142.28 58.11 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.358 -0.838 . . . . 0.0 109.399 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.36 138.18 57.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.149 -0.969 . . . . 0.0 109.393 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.821 ' NZ ' HD22 ' A' ' 17' ' ' ASN . 2.6 pttm -85.41 -21.13 28.92 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.332 -0.855 . . . . 0.0 109.241 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.821 HD22 ' NZ ' ' A' ' 16' ' ' LYS . 71.3 m-80 -90.05 -9.88 46.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.303 -0.873 . . . . 0.0 109.471 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -111.11 135.42 51.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.41 -0.806 . . . . 0.0 108.965 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -80.63 84.85 6.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.025 -1.047 . . . . 0.0 109.426 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 m -66.66 -33.34 75.43 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.354 -0.841 . . . . 0.0 109.106 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.525 HH12 ' NH1' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -61.69 -48.28 81.49 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.608 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.515 ' HG3' HD22 ' A' ' 26' ' ' ASN . 13.5 ttt180 -66.66 -46.83 74.44 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.385 -0.822 . . . . 0.0 109.858 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -63.79 -37.04 85.91 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.14 -0.975 . . . . 0.0 109.182 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 32.0 tp -63.08 -50.24 71.34 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.204 -0.935 . . . . 0.0 110.267 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.525 ' NH1' HH12 ' A' ' 21' ' ' ARG . 41.1 ptt180 -65.98 -21.94 66.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.064 -1.022 . . . . 0.0 108.818 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.515 HD22 ' HG3' ' A' ' 22' ' ' ARG . 88.0 m-20 -79.95 -2.35 43.52 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.569 -0.707 . . . . 0.0 109.248 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.41 21.29 64.87 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.414 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 10.1 t0 -58.25 -39.36 78.95 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.399 -1.06 . . . . 0.0 109.292 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.465 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 30.9 m -67.11 -21.01 65.87 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.309 -0.87 . . . . 0.0 108.668 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -95.13 -0.65 53.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.436 -0.79 . . . . 0.0 109.844 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 64.5 t-20 -96.72 115.67 27.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.091 -1.005 . . . . 0.0 108.979 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -59.16 -32.95 70.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.201 -0.937 . . . . 0.0 108.938 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 63.7 t0 -67.93 -21.99 65.08 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.552 -0.717 . . . . 0.0 110.097 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HG3' ' ND2' ' A' ' 31' ' ' ASN . 18.9 mttt -112.29 -2.13 14.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.986 -1.071 . . . . 0.0 110.051 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -54.6 -48.22 72.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.982 -1.074 . . . . 0.0 109.409 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.6 -39.27 93.43 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.351 -0.843 . . . . 0.0 108.853 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.33 -40.04 89.2 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.531 -0.73 . . . . 0.0 109.051 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.497 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.58 -45.62 65.02 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.245 -0.909 . . . . 0.0 109.6 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.07 -26.4 55.65 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 108.31 -1.916 . . . . 0.0 108.31 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -92.47 -54.01 3.97 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.713 -0.874 . . . . 0.0 110.247 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -82.32 -49.57 9.89 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 111.191 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.1 m -130.92 71.08 82.6 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.854 -1.154 . . . . 0.0 111.494 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.85 -33.02 28.01 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.574 2.183 . . . . 0.0 111.359 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.3 t -79.04 -44.82 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.334 -0.854 . . . . 0.0 109.753 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.2 m -59.4 -37.78 78.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.298 -0.876 . . . . 0.0 110.901 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 61.4 m -86.1 -4.0 59.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.917 -1.114 . . . . 0.0 110.455 -178.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.59 36.74 22.25 Favored Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.798 -1.191 . . . . 0.0 111.19 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -106.03 -12.15 15.89 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.992 -1.299 . . . . 0.0 108.158 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.79 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.599 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 52.9 p30 -74.05 140.25 45.25 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.168 -0.958 . . . . 0.0 108.965 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 137.35 58.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.019 -1.051 . . . . 0.0 109.702 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -83.97 -24.36 30.67 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 109.395 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -89.54 -6.18 56.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.66 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CE2' ' OG ' ' A' ' 23' ' ' SER . 50.0 t80 -111.27 136.21 50.7 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.35 -0.844 . . . . 0.0 109.239 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -81.92 85.06 6.75 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.278 -0.889 . . . . 0.0 109.058 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.433 ' CB ' ' HG1' ' A' ' 45' ' ' THR . 24.2 m -67.08 -34.42 77.61 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.416 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -61.39 -47.89 83.73 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.527 0.679 . . . . 0.0 109.244 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HG3' HD22 ' A' ' 26' ' ' ASN . 23.4 ttt-85 -68.41 -45.54 72.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.251 -0.906 . . . . 0.0 109.348 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.416 ' OG ' ' CE2' ' A' ' 18' ' ' PHE . 51.0 m -63.06 -35.23 79.56 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.392 -0.818 . . . . 0.0 109.41 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.473 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 33.8 tp -65.8 -50.36 64.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.213 -0.929 . . . . 0.0 110.31 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 22.4 ptt180 -67.59 -21.45 65.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.165 -0.959 . . . . 0.0 109.109 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.508 HD22 ' HG3' ' A' ' 22' ' ' ARG . 97.9 m-20 -78.69 -3.2 42.94 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.41 -0.806 . . . . 0.0 108.918 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.01 21.42 61.17 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.0 t0 -58.38 -41.24 84.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -1.12 . . . . 0.0 109.59 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.473 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 30.1 m -65.01 -20.23 66.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.17 -0.956 . . . . 0.0 109.013 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 59.8 t0 -96.67 -0.61 48.16 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.439 -0.788 . . . . 0.0 110.136 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.473 HD21 ' HE3' ' A' ' 34' ' ' LYS . 57.4 t-20 -98.25 116.32 30.22 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.114 -0.991 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -58.14 -33.53 69.28 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.305 -0.872 . . . . 0.0 108.998 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -67.53 -23.17 65.41 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.625 -0.672 . . . . 0.0 109.981 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.473 ' HE3' HD21 ' A' ' 31' ' ' ASN . 74.5 mttt -113.11 1.49 15.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.067 -1.021 . . . . 0.0 109.775 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.71 -43.79 90.18 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.969 -1.082 . . . . 0.0 109.193 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.22 -38.8 88.8 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.323 -0.861 . . . . 0.0 108.705 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -60.7 -40.15 91.19 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.364 -0.835 . . . . 0.0 109.188 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.52 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.38 -47.94 58.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.412 -0.805 . . . . 0.0 109.935 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.23 -29.31 56.16 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.466 -1.854 . . . . 0.0 108.466 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 26.0 t80 -93.09 -51.55 4.99 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.542 -0.975 . . . . 0.0 110.351 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -81.1 -51.82 8.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.199 -0.938 . . . . 0.0 111.027 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.6 m -131.52 72.04 80.8 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 120.805 -1.185 . . . . 0.0 110.976 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.32 -32.77 32.05 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.61 2.207 . . . . 0.0 111.378 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.8 -44.63 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.583 -0.698 . . . . 0.0 109.732 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.433 ' HG1' ' CB ' ' A' ' 20' ' ' CYS . 44.3 m -60.15 -37.99 81.79 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.337 -0.852 . . . . 0.0 111.177 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.52 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 65.6 m -86.22 -4.43 59.17 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.871 -1.143 . . . . 0.0 110.783 -178.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.31 35.79 22.5 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.78 -1.2 . . . . 0.0 111.088 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.0 m-30 -107.25 -11.11 15.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.005 -1.291 . . . . 0.0 108.316 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.3 -1.573 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.231 179.784 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 121.106 0.479 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.543 ' CG ' ' HG1' ' A' ' 45' ' ' THR . 84.4 m-20 -67.02 134.71 52.48 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.126 -0.984 . . . . 0.0 109.192 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.547 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -60.52 139.17 57.87 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.177 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -80.95 -28.23 35.76 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.885 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -87.07 -1.56 57.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.229 -0.919 . . . . 0.0 110.111 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.419 ' CE1' ' HE3' ' A' ' 38' ' ' MET . 40.1 t80 -113.32 131.56 55.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.186 -0.946 . . . . 0.0 108.858 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -80.68 85.86 5.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.251 -0.906 . . . . 0.0 108.986 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 m -68.99 -35.11 76.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.507 -0.746 . . . . 0.0 109.664 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.462 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.48 -47.91 84.06 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.767 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.507 ' HG3' HD22 ' A' ' 26' ' ' ASN . 6.6 ttp180 -69.4 -46.22 67.38 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.454 -0.779 . . . . 0.0 109.644 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 m -61.91 -37.11 83.39 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.265 -0.897 . . . . 0.0 109.047 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.513 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 24.8 tp -63.67 -49.48 73.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.388 -0.82 . . . . 0.0 110.41 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 43.5 ptt85 -68.5 -19.86 64.55 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.131 -0.981 . . . . 0.0 108.392 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.507 HD22 ' HG3' ' A' ' 22' ' ' ARG . 96.5 m-20 -80.2 -1.75 41.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.487 -0.758 . . . . 0.0 109.623 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.45 21.94 63.48 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.254 -1.539 . . . . 0.0 109.254 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.469 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 17.0 t0 -61.28 -41.43 96.93 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.292 -1.122 . . . . 0.0 109.632 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.513 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 41.0 m -64.56 -19.28 65.54 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.066 -1.021 . . . . 0.0 109.126 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -97.59 0.74 47.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.542 -0.724 . . . . 0.0 110.408 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -99.57 113.98 26.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.972 -1.08 . . . . 0.0 109.896 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -56.35 -32.95 65.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.329 -0.857 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -69.46 -21.83 63.68 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.45 -0.781 . . . . 0.0 110.399 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 15.8 mttt -112.51 -2.43 14.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.954 -1.091 . . . . 0.0 109.712 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.8 mt -55.73 -42.96 76.11 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.044 -1.035 . . . . 0.0 109.33 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.58 -39.15 91.29 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.081 -1.012 . . . . 0.0 108.762 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -61.74 -39.35 91.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.41 -0.806 . . . . 0.0 109.14 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.541 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.6 mmt -70.17 -44.93 67.76 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.3 -0.875 . . . . 0.0 109.904 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.3 -27.17 65.01 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.707 -1.757 . . . . 0.0 108.707 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 27.6 t80 -94.57 -52.62 4.23 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.688 -0.89 . . . . 0.0 110.097 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.547 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 66.4 m-85 -79.05 -49.99 11.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.185 -0.947 . . . . 0.0 110.813 -178.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.0 m -137.25 74.63 48.23 Favored Pre-proline 0 N--CA 1.488 1.449 0 O-C-N 120.538 -1.351 . . . . 0.0 111.173 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.6 -32.62 30.6 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.456 2.104 . . . . 0.0 111.127 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.0 t -77.97 -42.41 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.468 -0.77 . . . . 0.0 109.406 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.543 ' HG1' ' CG ' ' A' ' 14' ' ' ASP . 68.7 m -59.18 -39.44 82.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.443 -0.786 . . . . 0.0 110.463 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.541 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 62.5 m -86.43 -4.82 59.24 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.092 -1.005 . . . . 0.0 110.95 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.91 36.33 19.09 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.823 -1.18 . . . . 0.0 110.792 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.6 m-30 -106.18 -12.33 15.77 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.215 -1.168 . . . . 0.0 107.92 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.301 -1.532 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.406 179.431 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 121.37 0.605 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.484 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 95.3 m-20 -68.46 133.07 48.07 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.317 -0.864 . . . . 0.0 109.406 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.63 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -59.52 139.94 56.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.38 -0.825 . . . . 0.0 109.166 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.705 ' NZ ' HD22 ' A' ' 17' ' ' ASN . 1.3 pttm -86.07 -20.35 28.89 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.301 -0.875 . . . . 0.0 109.498 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.705 HD22 ' NZ ' ' A' ' 16' ' ' LYS . 67.7 m-80 -88.61 -5.17 58.33 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.907 . . . . 0.0 109.401 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.4 ' CE2' ' HE2' ' A' ' 38' ' ' MET . 43.9 t80 -115.12 134.41 55.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.324 -0.86 . . . . 0.0 109.69 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -79.41 85.26 5.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.319 -0.863 . . . . 0.0 108.903 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.6 m -68.17 -35.03 77.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.384 -0.823 . . . . 0.0 109.598 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.749 ' CZ ' HH21 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.5 -48.95 75.5 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.566 -0.709 . . . . 0.0 109.339 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' HG3' HD22 ' A' ' 26' ' ' ASN . 20.5 ttt-85 -66.13 -45.45 81.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 109.361 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -64.08 -35.83 82.03 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.453 -0.779 . . . . 0.0 109.42 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 31.3 tp -64.33 -48.14 76.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.3 -0.875 . . . . 0.0 110.158 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.749 HH21 ' CZ ' ' A' ' 21' ' ' ARG . 8.8 ptp180 -66.3 -24.21 66.51 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.039 -1.038 . . . . 0.0 108.678 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.488 HD22 ' HG3' ' A' ' 22' ' ' ARG . 88.9 m-20 -77.8 -4.51 46.83 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.624 -0.672 . . . . 0.0 109.2 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.6 20.32 62.09 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -56.55 -39.8 74.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.265 -1.138 . . . . 0.0 109.597 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 33.1 m -66.22 -21.08 66.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.156 -0.965 . . . . 0.0 108.84 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -94.89 -0.73 53.74 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.396 -0.815 . . . . 0.0 110.098 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -98.96 113.55 25.76 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.038 -1.039 . . . . 0.0 109.284 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -56.16 -34.49 66.21 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.267 -0.896 . . . . 0.0 108.905 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.32 -23.02 66.29 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.557 -0.714 . . . . 0.0 109.997 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -112.52 0.06 15.38 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.114 -0.991 . . . . 0.0 109.882 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.66 -44.0 85.39 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.99 -1.068 . . . . 0.0 109.127 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.21 -38.89 91.87 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.212 -0.93 . . . . 0.0 108.731 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.22 -41.41 93.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.344 -0.847 . . . . 0.0 108.956 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.559 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.63 -46.75 62.73 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.512 -0.743 . . . . 0.0 110.168 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.56 -27.32 54.25 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 108.434 -1.866 . . . . 0.0 108.434 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 27.1 t80 -95.31 -53.35 3.8 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.775 -0.838 . . . . 0.0 110.231 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.536 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 73.1 m-85 -79.9 -45.44 18.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.394 -0.816 . . . . 0.0 111.478 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.4 m -137.49 69.21 53.74 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 120.715 -1.241 . . . . 0.0 111.051 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.07 -32.14 53.72 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.289 1.993 . . . . 0.0 111.273 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.9 t -79.95 -45.92 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.471 -0.768 . . . . 0.0 109.989 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.484 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 41.2 m -56.56 -38.47 71.98 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.12 -0.988 . . . . 0.0 110.547 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 85.6 m -86.32 -8.41 57.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.118 -0.989 . . . . 0.0 110.598 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.96 35.03 16.6 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.689 -1.244 . . . . 0.0 111.375 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -103.62 -11.09 17.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.951 -1.323 . . . . 0.0 107.8 178.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.299 -1.624 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.674 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.418 0.628 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.519 ' OD2' ' OG1' ' A' ' 45' ' ' THR . 86.4 m-20 -70.64 140.9 51.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.249 -0.907 . . . . 0.0 108.953 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.601 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -60.79 140.24 57.67 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.207 -0.933 . . . . 0.0 109.633 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.748 ' HZ1' HD22 ' A' ' 17' ' ' ASN . 26.1 pttm -83.13 -25.96 31.44 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.391 -0.818 . . . . 0.0 110.034 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.748 HD22 ' HZ1' ' A' ' 16' ' ' LYS . 75.8 m-20 -89.05 -3.75 58.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.178 -0.951 . . . . 0.0 110.07 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -110.74 133.96 52.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.366 -0.834 . . . . 0.0 109.265 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -81.48 85.92 6.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.001 -1.062 . . . . 0.0 109.255 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.463 ' CB ' ' HG1' ' A' ' 45' ' ' THR . 33.9 m -68.05 -35.63 78.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.294 -0.879 . . . . 0.0 109.625 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.6 -46.56 89.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.537 -0.727 . . . . 0.0 109.082 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.638 ' NH1' HD22 ' A' ' 26' ' ' ASN . 7.9 ttt85 -69.04 -45.34 70.66 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.245 -0.909 . . . . 0.0 109.494 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.0 m -64.62 -35.7 81.87 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.152 -0.967 . . . . 0.0 109.495 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.514 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 38.4 tp -65.21 -49.59 69.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.107 -0.996 . . . . 0.0 110.387 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.493 ' NH2' HH11 ' A' ' 22' ' ' ARG . 40.0 ptt85 -66.41 -23.81 66.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.005 -1.06 . . . . 0.0 109.052 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.638 HD22 ' NH1' ' A' ' 22' ' ' ARG . 96.3 m-20 -78.27 -1.76 34.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.456 -0.778 . . . . 0.0 109.704 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.49 20.27 64.51 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.407 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 11.9 t0 -57.83 -40.19 79.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.33 -1.1 . . . . 0.0 109.628 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.514 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 30.6 m -66.19 -21.53 66.32 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.155 -0.966 . . . . 0.0 108.617 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -96.27 0.89 51.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.495 -0.753 . . . . 0.0 109.984 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.627 ' ND2' ' HZ1' ' A' ' 34' ' ' LYS . 54.6 t-20 -98.44 115.56 28.79 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.219 -0.926 . . . . 0.0 108.864 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -59.48 -33.15 70.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.213 -0.93 . . . . 0.0 108.925 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -67.2 -25.9 66.35 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.465 -0.772 . . . . 0.0 109.641 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.627 ' HZ1' ' ND2' ' A' ' 31' ' ' ASN . 9.9 mttm -109.45 -0.45 18.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.133 -0.979 . . . . 0.0 109.585 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.0 mt -55.97 -44.67 78.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.084 -1.01 . . . . 0.0 109.268 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.14 -37.85 86.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.35 -0.844 . . . . 0.0 109.116 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 41' ' ' TYR . 94.7 mt-10 -61.34 -39.74 91.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.276 -0.89 . . . . 0.0 109.353 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.536 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.16 -47.4 61.78 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.38 -0.825 . . . . 0.0 110.203 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.29 -28.06 54.09 Favored Glycine 0 N--CA 1.487 2.083 0 N-CA-C 108.181 -1.968 . . . . 0.0 108.181 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 30.1 t80 -95.29 -53.97 3.58 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.602 -0.94 . . . . 0.0 110.697 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.528 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 70.4 m-85 -78.73 -46.55 18.71 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.251 -0.906 . . . . 0.0 110.749 -178.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.483 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.8 m -135.09 71.62 68.4 Favored Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 120.875 -1.141 . . . . 0.0 111.225 -178.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.31 -34.15 28.07 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.395 2.064 . . . . 0.0 111.637 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.1 t -79.95 -43.45 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.452 -0.78 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.519 ' OG1' ' OD2' ' A' ' 14' ' ' ASP . 33.8 m -59.3 -39.24 82.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.092 -1.005 . . . . 0.0 110.385 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.557 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 69.5 m -85.6 -10.65 55.55 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.992 -1.068 . . . . 0.0 110.127 -179.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.71 37.96 11.18 Favored Glycine 0 N--CA 1.494 2.504 0 O-C-N 120.92 -1.113 . . . . 0.0 112.132 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.557 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 35.7 m-85 -104.3 -14.96 15.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.684 -1.48 . . . . 0.0 107.445 177.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.302 -1.478 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.195 0.521 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.49 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 82.2 m-20 -71.61 137.52 48.01 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.192 -0.942 . . . . 0.0 108.953 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.623 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -61.31 138.75 58.24 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.824 -179.803 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HZ3' HD22 ' A' ' 17' ' ' ASN . 24.9 pttm -84.16 -24.14 30.32 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.528 -0.733 . . . . 0.0 109.8 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.51 HD22 ' HZ3' ' A' ' 16' ' ' LYS . 71.0 m-80 -86.86 -6.6 58.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.16 -0.963 . . . . 0.0 110.091 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CE1' ' HE1' ' A' ' 38' ' ' MET . 48.5 t80 -111.24 134.18 53.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.252 -0.905 . . . . 0.0 109.58 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -79.79 86.67 5.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.956 -1.09 . . . . 0.0 108.609 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.78 -33.72 68.83 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.451 -0.781 . . . . 0.0 109.84 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.427 ' CD ' ' C ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -62.66 -49.86 73.48 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.349 -0.844 . . . . 0.0 108.85 -179.825 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HG3' HD22 ' A' ' 26' ' ' ASN . 19.4 ttt-85 -66.94 -44.42 80.67 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.201 -0.937 . . . . 0.0 109.567 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.8 m -63.18 -36.21 82.88 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.237 -0.914 . . . . 0.0 109.565 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.479 ' C ' ' CD2' ' A' ' 24' ' ' LEU . 5.1 tt -63.6 -50.17 70.44 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.911 -1.118 . . . . 0.0 110.193 -179.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 44.5 ptt85 -66.67 -23.81 66.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.885 -1.134 . . . . 0.0 108.796 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.489 HD22 ' HG3' ' A' ' 22' ' ' ARG . 97.7 m-20 -75.16 -2.9 29.89 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.54 -0.725 . . . . 0.0 109.254 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.03 13.52 74.36 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -56.5 -40.72 75.45 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.994 -1.298 . . . . 0.0 109.16 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.2 m -67.99 -22.01 65.03 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -96.72 2.64 52.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.578 -0.701 . . . . 0.0 110.195 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.428 HD21 ' HE3' ' A' ' 34' ' ' LYS . 55.5 t-20 -100.34 112.12 24.44 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.044 -1.035 . . . . 0.0 108.951 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -55.89 -34.13 65.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.312 -0.867 . . . . 0.0 109.491 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -65.89 -25.39 67.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.458 -0.776 . . . . 0.0 109.766 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HE3' HD21 ' A' ' 31' ' ' ASN . 26.3 mttt -109.9 -0.74 18.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.277 -0.889 . . . . 0.0 109.929 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -56.69 -45.99 81.46 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.109 -0.994 . . . . 0.0 109.366 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.0 tt -65.16 -39.49 93.02 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.046 -1.034 . . . . 0.0 108.495 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.99 -39.84 91.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.342 -0.849 . . . . 0.0 109.291 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.542 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.3 mmt -70.43 -45.43 65.89 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.977 -1.077 . . . . 0.0 109.422 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.52 -25.59 42.69 Favored Glycine 0 N--CA 1.484 1.875 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 21.6 t80 -94.65 -53.6 3.82 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.579 -0.954 . . . . 0.0 110.318 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.536 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 63.9 m-85 -80.33 -47.21 14.84 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.0 -1.062 . . . . 0.0 111.25 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 m -134.18 71.05 73.34 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 120.837 -1.165 . . . . 0.0 111.204 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.32 -35.15 24.98 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.448 2.099 . . . . 0.0 111.946 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -77.83 -43.98 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.191 -0.943 . . . . 0.0 109.835 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.49 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 65.5 m -59.92 -37.79 80.47 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.392 -0.818 . . . . 0.0 110.897 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.542 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 97.3 m -86.57 0.05 55.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.893 -1.129 . . . . 0.0 110.621 -178.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.97 35.72 38.2 Favored Glycine 0 N--CA 1.495 2.59 0 C-N-CA 119.852 -1.166 . . . . 0.0 111.748 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 12.2 m-30 -108.12 -12.83 15.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.953 -1.322 . . . . 0.0 108.322 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.299 -1.611 0 O-C-N 121.397 -0.814 . . . . 0.0 109.497 179.496 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 121.258 0.551 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.482 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.5 m-20 -70.74 140.02 51.25 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.22 -0.925 . . . . 0.0 109.293 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.61 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -61.33 139.14 58.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.266 -0.896 . . . . 0.0 109.446 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.674 ' NZ ' HD22 ' A' ' 17' ' ' ASN . 18.2 pttm -84.52 -25.62 28.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -0.827 . . . . 0.0 110.056 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.674 HD22 ' NZ ' ' A' ' 16' ' ' LYS . 79.5 m-20 -91.37 1.01 57.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 110.052 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -113.79 131.26 56.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.192 -0.943 . . . . 0.0 109.568 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -79.88 85.74 5.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.164 -0.96 . . . . 0.0 108.845 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.7 m -70.12 -34.62 73.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.429 -0.795 . . . . 0.0 109.757 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.18 -42.9 87.08 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.521 ' HG3' HD22 ' A' ' 26' ' ' ASN . 15.0 ttt-85 -68.17 -47.22 68.58 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.499 -0.751 . . . . 0.0 109.424 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 78.5 p -67.39 -34.79 78.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.449 -0.782 . . . . 0.0 108.973 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 28.1 tp -66.39 -48.7 69.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.29 -0.881 . . . . 0.0 110.384 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -69.53 -23.17 63.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.258 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.521 HD22 ' HG3' ' A' ' 22' ' ' ARG . 96.0 m-20 -79.83 -1.37 38.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.481 -0.762 . . . . 0.0 109.39 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.52 23.43 58.37 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.855 -1.698 . . . . 0.0 108.855 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 23' ' ' SER . 16.4 t0 -60.96 -38.65 86.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.415 -1.05 . . . . 0.0 109.578 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.453 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 22.8 m -67.32 -18.72 65.29 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.213 -0.929 . . . . 0.0 108.599 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -96.79 1.6 50.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.573 -0.704 . . . . 0.0 110.033 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.405 HD21 ' HE3' ' A' ' 34' ' ' LYS . 55.8 t-20 -101.94 115.06 29.73 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.084 -1.01 . . . . 0.0 109.84 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -56.31 -34.03 66.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.462 -0.774 . . . . 0.0 109.092 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -67.48 -24.05 65.55 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.644 -0.66 . . . . 0.0 109.781 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HE3' HD21 ' A' ' 31' ' ' ASN . 36.8 mttt -112.3 -0.4 15.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.182 -0.949 . . . . 0.0 109.908 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.0 -44.29 78.51 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.086 -1.009 . . . . 0.0 109.26 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.7 -38.76 90.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.405 -0.809 . . . . 0.0 109.155 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -61.25 -39.73 91.43 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.475 -0.766 . . . . 0.0 109.189 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.541 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -71.41 -47.01 58.72 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.525 -0.734 . . . . 0.0 109.741 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.29 -28.55 50.44 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 108.341 -1.904 . . . . 0.0 108.341 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -94.93 -56.12 2.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.796 -0.826 . . . . 0.0 110.834 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.556 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 68.2 m-85 -76.23 -43.95 39.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 110.784 -178.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.457 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.3 m -140.45 72.76 30.98 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 120.685 -1.259 . . . . 0.0 110.974 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -66.9 -33.54 32.86 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 122.381 2.054 . . . . 0.0 111.406 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.3 t -80.25 -43.12 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.472 -0.767 . . . . 0.0 109.5 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.482 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 54.1 m -58.01 -38.82 76.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.263 -0.898 . . . . 0.0 110.605 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.541 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.4 m -86.83 -8.77 57.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.053 -1.029 . . . . 0.0 110.658 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.3 34.79 13.36 Favored Glycine 0 N--CA 1.493 2.453 0 C-N-CA 119.77 -1.205 . . . . 0.0 112.313 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 34.0 m-85 -102.97 -14.85 16.32 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.558 -1.554 . . . . 0.0 107.562 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.301 -1.524 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.535 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.297 0.57 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.489 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 87.0 m-20 -69.18 138.72 54.34 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 109.184 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.591 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -62.19 138.49 58.42 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.233 -0.917 . . . . 0.0 109.472 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HE2' HD22 ' A' ' 17' ' ' ASN . 3.3 pttm -82.41 -29.22 30.91 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.211 -0.93 . . . . 0.0 109.623 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.401 HD22 ' HE2' ' A' ' 16' ' ' LYS . 79.2 m-20 -86.47 -1.71 57.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.337 -0.852 . . . . 0.0 109.613 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -113.54 129.86 56.47 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.269 -0.894 . . . . 0.0 109.932 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -80.41 85.02 5.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 0.0 109.083 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.8 m -67.6 -35.8 79.67 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.646 0.736 . . . . 0.0 109.266 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.727 ' NH1' ' NH1' ' A' ' 25' ' ' ARG . 1.2 tmt_? -57.04 -42.19 80.04 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HG3' HD22 ' A' ' 26' ' ' ASN . 11.5 ttt180 -69.4 -47.18 64.99 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.493 -0.754 . . . . 0.0 109.646 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 79.4 p -66.45 -34.57 78.24 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.176 -0.952 . . . . 0.0 109.444 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 38.3 tp -67.63 -48.09 67.72 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.172 -0.955 . . . . 0.0 110.49 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.727 ' NH1' ' NH1' ' A' ' 21' ' ' ARG . 41.2 ptt180 -68.47 -22.79 64.55 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 108.992 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.447 HD22 ' HG3' ' A' ' 22' ' ' ARG . 96.2 m-20 -80.8 -0.67 39.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.437 -0.789 . . . . 0.0 109.286 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.02 23.4 63.78 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 23' ' ' SER . 13.8 t0 -60.06 -40.14 88.44 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.367 -1.078 . . . . 0.0 109.58 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.458 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 28.8 m -64.46 -19.96 65.88 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -95.98 -3.51 44.91 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.385 -0.822 . . . . 0.0 110.063 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -94.66 116.12 28.37 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.983 -1.073 . . . . 0.0 109.354 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -57.57 -33.69 68.42 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.327 -0.858 . . . . 0.0 109.119 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.94 -27.19 67.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.478 -0.764 . . . . 0.0 109.957 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -107.63 -0.82 21.69 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.227 -0.921 . . . . 0.0 109.48 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.3 mt -53.84 -47.98 70.41 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.482 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -65.17 -38.55 90.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.219 -0.926 . . . . 0.0 109.176 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -58.87 -40.5 84.53 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.365 -0.834 . . . . 0.0 109.483 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.576 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.1 mmt -70.28 -47.05 62.99 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.37 -0.831 . . . . 0.0 110.057 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.51 -28.25 50.59 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 40.7 t80 -94.75 -55.49 3.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.642 -0.917 . . . . 0.0 110.576 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.591 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 61.4 m-85 -76.03 -44.28 40.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.326 -0.859 . . . . 0.0 111.337 -178.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.6 m -139.89 69.73 36.23 Favored Pre-proline 0 C--N 1.3 -1.559 0 O-C-N 120.682 -1.261 . . . . 0.0 111.084 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.24 -33.09 61.22 Favored 'Trans proline' 0 C--N 1.301 -1.937 0 C-N-CA 122.465 2.11 . . . . 0.0 111.958 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.8 t -81.01 -42.61 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.142 -0.974 . . . . 0.0 109.973 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.489 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 62.4 m -59.51 -37.71 79.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.245 -0.909 . . . . 0.0 110.791 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.576 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.9 m -86.06 -9.76 56.17 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.878 -1.139 . . . . 0.0 110.74 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.09 35.0 10.09 Favored Glycine 0 N--CA 1.492 2.401 0 C-N-CA 119.638 -1.268 . . . . 0.0 111.891 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.494 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 46.0 m-85 -102.89 -16.19 15.96 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.668 -1.489 . . . . 0.0 107.527 178.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.302 -1.465 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.477 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.205 0.526 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.572 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 47.6 p30 -72.54 137.44 46.25 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.277 -0.889 . . . . 0.0 108.629 178.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.59 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -61.51 140.63 58.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.21 -0.931 . . . . 0.0 109.868 -179.05 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -87.76 -29.07 21.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.324 -0.86 . . . . 0.0 109.492 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -82.87 -4.93 58.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -110.94 133.75 53.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.832 . . . . 0.0 108.938 179.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -79.5 84.8 5.33 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.029 -1.045 . . . . 0.0 108.502 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -70.82 -36.15 72.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.373 -0.829 . . . . 0.0 109.292 -179.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.478 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.24 -46.21 90.55 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.435 -0.791 . . . . 0.0 108.97 179.758 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.702 ' HE ' HH21 ' A' ' 25' ' ' ARG . 11.5 ttm180 -69.69 -45.93 67.19 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.056 -1.028 . . . . 0.0 109.497 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -61.9 -36.09 80.28 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.33 -0.857 . . . . 0.0 109.277 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.502 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 35.9 tp -64.4 -50.35 67.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 0.0 110.408 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.702 HH21 ' HE ' ' A' ' 22' ' ' ARG . 27.1 ptt180 -67.32 -21.14 65.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.142 -0.974 . . . . 0.0 109.167 -179.597 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.512 HD22 ' HG3' ' A' ' 22' ' ' ARG . 96.7 m-20 -79.01 -2.7 41.49 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.508 -0.745 . . . . 0.0 109.295 179.498 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.7 21.09 62.36 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.4 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 14.8 t0 -59.77 -40.4 88.09 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.225 -1.162 . . . . 0.0 109.796 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.502 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 28.8 m -66.39 -21.49 66.23 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.08 -1.013 . . . . 0.0 108.563 179.397 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.7 -0.51 54.27 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.352 -0.843 . . . . 0.0 109.846 -179.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -97.43 113.56 25.26 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.978 -1.076 . . . . 0.0 108.726 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -57.4 -34.15 68.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.269 -0.894 . . . . 0.0 109.173 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -66.72 -25.36 66.49 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.386 -0.821 . . . . 0.0 109.763 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 62.5 mttt -109.1 0.28 19.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.052 -1.03 . . . . 0.0 109.592 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.01 -45.14 83.25 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.136 -0.978 . . . . 0.0 109.346 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.36 -39.38 92.26 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 0.0 108.811 178.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -59.67 -39.59 84.97 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.322 -0.861 . . . . 0.0 109.18 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.579 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -70.71 -45.27 65.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.475 -0.766 . . . . 0.0 110.106 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.77 -28.66 60.59 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 179.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -93.81 -54.25 3.69 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.889 -0.771 . . . . 0.0 110.471 -179.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.59 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 63.9 m-85 -77.53 -48.86 15.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.128 -0.982 . . . . 0.0 110.957 -179.1 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.4 m -136.32 73.52 56.74 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 120.69 -1.256 . . . . 0.0 111.107 -178.827 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.1 -35.85 23.85 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.575 2.183 . . . . 0.0 111.647 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.18 -42.85 37.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.47 0.652 . . . . 0.0 109.495 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.453 ' HG1' ' HB3' ' A' ' 42' ' ' CYS . 32.1 m -59.39 -39.27 82.85 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.324 -0.86 . . . . 0.0 110.601 -179.269 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.579 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 75.6 m -86.9 -1.27 57.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.217 -0.927 . . . . 0.0 110.482 -178.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.15 36.13 36.17 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.906 178.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.1 m-30 -105.14 -12.61 16.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.976 -1.309 . . . . 0.0 108.027 178.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.298 -1.662 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.321 179.544 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.56 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 47.8 p30 -74.11 151.95 40.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.267 -0.896 . . . . 0.0 108.809 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.3 132.2 46.06 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.018 -1.051 . . . . 0.0 110.018 -179.484 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' NZ ' HD22 ' A' ' 17' ' ' ASN . 25.9 pttm -79.85 -23.81 41.72 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.261 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.443 HD22 ' NZ ' ' A' ' 16' ' ' LYS . 79.5 m-20 -90.41 -9.9 45.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.59 -0.694 . . . . 0.0 110.058 -179.398 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -108.6 129.97 55.31 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 179.269 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -76.48 84.97 3.2 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.137 -0.977 . . . . 0.0 109.452 -179.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.4 m -67.86 -34.46 76.74 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -45.25 88.53 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.391 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.461 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 15.1 ttt-85 -66.31 -46.06 78.22 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.407 -0.808 . . . . 0.0 109.697 179.432 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.3 p -68.22 -34.1 75.63 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.186 -0.946 . . . . 0.0 109.532 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 27.7 tp -66.09 -49.7 66.66 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.2 -0.937 . . . . 0.0 110.536 -179.559 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -67.09 -20.74 65.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.111 -0.993 . . . . 0.0 109.287 -179.444 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 22' ' ' ARG . 96.3 m-20 -82.27 -2.3 52.17 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.537 -0.727 . . . . 0.0 109.337 179.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.48 21.49 62.08 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.422 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.0 t0 -57.73 -39.63 77.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.294 -1.121 . . . . 0.0 109.384 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 33.6 m -64.47 -21.58 66.71 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.23 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -96.86 -1.13 46.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.657 -0.652 . . . . 0.0 110.098 -179.441 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.422 HD21 ' HE2' ' A' ' 34' ' ' LYS . 57.0 t-20 -95.84 114.1 25.79 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.094 -1.004 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -56.64 -34.3 67.17 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.192 -0.942 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.476 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 66.5 t0 -67.22 -22.4 65.71 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.44 -0.788 . . . . 0.0 110.01 -179.555 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.422 ' HE2' HD21 ' A' ' 31' ' ' ASN . 13.2 mttm -112.96 -1.05 14.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.151 -0.968 . . . . 0.0 109.816 -179.286 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.09 -45.83 71.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.079 -1.013 . . . . 0.0 109.433 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.05 -37.22 83.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.255 -0.903 . . . . 0.0 109.324 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.19 -39.45 92.78 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.192 -0.943 . . . . 0.0 109.28 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.53 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.99 -48.81 51.17 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.44 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.61 -28.03 44.24 Favored Glycine 0 N--CA 1.482 1.76 0 N-CA-C 108.391 -1.884 . . . . 0.0 108.391 179.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -94.51 -56.04 2.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.62 -0.929 . . . . 0.0 110.399 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -77.67 -45.21 25.61 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.099 -1.001 . . . . 0.0 110.917 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.466 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.1 m -134.56 71.14 71.61 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 120.854 -1.154 . . . . 0.0 111.442 -178.681 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.08 -33.29 32.22 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.378 2.052 . . . . 0.0 111.435 178.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.33 -45.48 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.374 -0.829 . . . . 0.0 110.101 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.0 m -57.84 -38.71 76.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.232 -0.918 . . . . 0.0 110.457 -179.005 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 65.1 m -86.04 -11.53 52.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.942 -1.098 . . . . 0.0 110.469 -179.085 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.71 35.97 10.98 Favored Glycine 0 N--CA 1.494 2.524 0 C-N-CA 119.807 -1.187 . . . . 0.0 112.098 178.198 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.521 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 47.7 m-85 -102.31 -14.93 16.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.626 -1.514 . . . . 0.0 107.696 177.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.299 -1.592 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.75 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 121.234 0.54 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.493 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 78.5 m-20 -72.51 138.44 46.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.129 -0.982 . . . . 0.0 109.06 179.514 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.553 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -57.2 139.54 52.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.938 . . . . 0.0 109.318 -179.85 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -85.71 -25.61 26.39 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.446 -0.784 . . . . 0.0 109.619 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -88.95 -2.74 58.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.298 -0.876 . . . . 0.0 109.614 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -113.09 129.03 56.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -0.886 . . . . 0.0 109.403 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 25.7 p30 -77.96 84.95 4.22 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.229 -0.919 . . . . 0.0 109.056 179.361 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.424 ' CB ' ' HG1' ' A' ' 45' ' ' THR . 22.7 m -68.0 -33.57 74.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.294 -0.879 . . . . 0.0 109.47 -179.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.435 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.92 -43.68 91.17 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.394 -0.816 . . . . 0.0 108.863 -179.84 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.677 ' CZ ' HH21 ' A' ' 25' ' ' ARG . 14.6 ttm-85 -68.78 -47.48 66.06 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.367 -0.833 . . . . 0.0 109.417 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.4 ' HG ' ' N ' ' A' ' 24' ' ' LEU . 63.6 p -64.85 -36.03 83.04 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.381 -0.824 . . . . 0.0 109.211 179.863 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 28.5 tp -63.9 -50.48 68.55 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 110.238 -179.851 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.677 HH21 ' CZ ' ' A' ' 22' ' ' ARG . 47.1 ptt85 -67.63 -21.94 65.36 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.061 -1.024 . . . . 0.0 109.074 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.498 HD22 ' HG3' ' A' ' 22' ' ' ARG . 97.3 m-20 -79.86 -2.57 44.13 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.456 -0.778 . . . . 0.0 109.265 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.09 21.16 61.47 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.5 t0 -58.69 -38.92 79.28 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.166 -1.196 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.438 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 48.6 m -66.35 -18.24 65.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.147 -0.971 . . . . 0.0 108.774 179.311 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -98.92 -1.39 40.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.372 -0.83 . . . . 0.0 110.019 -179.612 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.456 HD21 ' HE3' ' A' ' 34' ' ' LYS . 53.2 t-20 -96.9 113.84 25.42 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.231 -0.918 . . . . 0.0 109.133 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -56.41 -33.56 65.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.216 -0.928 . . . . 0.0 109.6 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -66.99 -24.59 66.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.24 -0.913 . . . . 0.0 110.125 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HE3' HD21 ' A' ' 31' ' ' ASN . 42.0 mttt -109.07 -5.57 15.97 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.138 -0.976 . . . . 0.0 109.779 -178.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.37 -46.35 66.14 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.278 -0.889 . . . . 0.0 109.199 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -66.66 -40.25 88.54 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.289 -0.882 . . . . 0.0 109.256 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.75 -38.33 84.8 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.336 -0.852 . . . . 0.0 109.285 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.53 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.4 mmt -70.87 -46.32 62.85 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.297 -0.877 . . . . 0.0 109.834 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.87 -23.39 45.18 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 107.567 -2.213 . . . . 0.0 107.567 179.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 34.1 t80 -95.06 -57.22 2.49 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.935 -0.744 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.553 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 65.8 m-85 -78.67 -45.01 22.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.298 -0.876 . . . . 0.0 111.281 -178.778 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.3 m -136.82 74.33 51.68 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 120.72 -1.238 . . . . 0.0 110.845 -178.765 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.15 -35.07 20.5 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.394 2.063 . . . . 0.0 111.54 179.299 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.42 ' HB ' ' OD1' ' A' ' 14' ' ' ASP . 87.2 t -78.47 -43.98 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 109.122 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.493 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 52.9 m -54.81 -40.95 70.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.335 -0.853 . . . . 0.0 110.309 -179.544 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.2 m -87.03 -1.86 58.2 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.121 -0.987 . . . . 0.0 110.564 -178.894 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.4 34.78 39.32 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.042 178.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.5 m-30 -103.73 -10.5 18.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.936 -1.332 . . . . 0.0 107.943 178.54 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.3 -1.575 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.261 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.586 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.2 p30 -76.09 141.91 41.87 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.149 -0.97 . . . . 0.0 108.903 179.363 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -64.0 137.75 58.14 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.231 -0.918 . . . . 0.0 109.897 -179.23 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HZ3' ' CG ' ' A' ' 17' ' ' ASN . 19.1 pttp -84.15 -30.72 25.64 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.397 -0.815 . . . . 0.0 109.665 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.454 ' CG ' ' HZ3' ' A' ' 16' ' ' LYS . 76.2 m-20 -83.19 -5.26 59.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 0.0 109.918 -179.501 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -112.2 131.96 55.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.447 -0.783 . . . . 0.0 109.122 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -80.96 87.93 5.95 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.347 -0.846 . . . . 0.0 109.433 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.8 m -70.29 -37.93 74.93 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.207 -0.933 . . . . 0.0 109.621 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -55.22 -42.36 73.25 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.73 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.652 HH11 ' NH2' ' A' ' 25' ' ' ARG . 13.1 ttt85 -69.67 -47.71 62.34 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.546 -0.721 . . . . 0.0 109.562 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 82.9 p -65.89 -34.02 77.18 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.413 -0.804 . . . . 0.0 109.367 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 22.0 tp -66.99 -50.42 62.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.344 -0.847 . . . . 0.0 110.246 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.652 ' NH2' HH11 ' A' ' 22' ' ' ARG . 34.3 ptt85 -66.33 -24.64 66.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.131 -0.981 . . . . 0.0 108.994 -179.731 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.501 HD22 ' NH1' ' A' ' 22' ' ' ARG . 97.2 m-20 -78.59 -2.79 40.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.434 -0.791 . . . . 0.0 109.829 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.61 21.4 60.02 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 23' ' ' SER . 17.5 t0 -60.16 -39.91 88.05 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.341 -1.094 . . . . 0.0 109.618 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.471 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 38.6 m -65.22 -19.63 66.06 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.139 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -97.95 -2.89 39.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.462 -0.774 . . . . 0.0 110.226 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -95.07 115.55 27.57 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.169 -0.957 . . . . 0.0 108.853 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -58.37 -31.71 67.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.836 . . . . 0.0 109.543 -179.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.3 -22.64 62.81 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.461 -0.774 . . . . 0.0 110.365 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 24.4 mttt -110.66 1.05 17.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.078 -1.014 . . . . 0.0 109.634 -179.571 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt -58.57 -42.7 88.57 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.262 -0.899 . . . . 0.0 109.085 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.2 -40.62 94.42 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.26 -0.9 . . . . 0.0 108.777 179.121 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' TYR . 88.4 mt-10 -61.16 -41.32 96.56 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.513 -0.742 . . . . 0.0 109.077 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.585 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -67.78 -47.34 69.43 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.341 -0.849 . . . . 0.0 110.177 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.66 -27.1 60.96 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.604 -1.799 . . . . 0.0 108.604 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 34.1 t80 -94.74 -53.1 3.99 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.87 -0.782 . . . . 0.0 110.177 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.581 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 67.5 m-85 -79.34 -46.46 17.63 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.396 -0.815 . . . . 0.0 110.931 -179.104 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -137.96 72.1 47.95 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 120.669 -1.269 . . . . 0.0 111.335 -178.784 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.73 -34.2 41.53 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.346 2.031 . . . . 0.0 111.291 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.3 t -78.37 -43.11 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.434 -0.791 . . . . 0.0 109.93 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.7 m -59.19 -39.62 83.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.505 -0.747 . . . . 0.0 110.723 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.585 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 68.5 m -86.88 -4.43 59.18 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.071 -1.018 . . . . 0.0 110.485 -178.61 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.93 34.88 29.34 Favored Glycine 0 N--CA 1.49 2.265 0 C-N-CA 119.701 -1.238 . . . . 0.0 111.089 178.477 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -104.39 -9.73 18.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.811 -1.405 . . . . 0.0 107.937 178.487 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.301 -1.53 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.481 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.367 0.603 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.501 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 86.2 m-20 -70.86 135.6 48.15 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.116 -0.99 . . . . 0.0 109.398 179.21 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.659 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -59.49 139.45 57.11 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.208 -0.932 . . . . 0.0 109.634 -179.761 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -88.13 -25.18 23.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.378 -0.826 . . . . 0.0 110.279 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -86.85 -4.93 59.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.98 -1.075 . . . . 0.0 109.405 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -114.74 130.27 56.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.461 -0.775 . . . . 0.0 109.442 179.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -77.39 85.82 3.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.265 -0.897 . . . . 0.0 109.639 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.1 m -67.23 -35.14 78.96 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 109.2 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.463 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -57.68 -41.14 81.01 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.555 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.491 ' HG3' HD22 ' A' ' 26' ' ' ASN . 12.8 ttm-85 -70.74 -47.56 59.04 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.348 -0.845 . . . . 0.0 109.609 179.384 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.7 p -66.15 -34.86 79.01 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.264 -0.897 . . . . 0.0 109.539 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.2 tp -64.94 -47.93 75.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.226 -0.921 . . . . 0.0 110.295 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 23.8 ptt180 -69.8 -22.9 63.28 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.22 -0.925 . . . . 0.0 109.22 -179.625 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.491 HD22 ' HG3' ' A' ' 22' ' ' ARG . 95.8 m-20 -78.5 -2.17 37.36 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.535 -0.728 . . . . 0.0 109.078 179.557 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.54 21.33 62.24 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 10.8 t0 -59.32 -39.92 84.63 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.363 -1.081 . . . . 0.0 109.886 -179.617 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.448 ' SG ' HD12 ' A' ' 24' ' ' LEU . 35.4 m -65.64 -20.58 66.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.115 -0.991 . . . . 0.0 108.438 179.423 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -94.17 1.11 56.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.574 -0.704 . . . . 0.0 110.16 -179.306 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.427 HD21 ' HE3' ' A' ' 34' ' ' LYS . 49.3 t-20 -102.81 115.53 30.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.039 -1.038 . . . . 0.0 109.37 -179.817 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -57.02 -34.84 68.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.211 -0.931 . . . . 0.0 109.316 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -66.25 -23.18 66.37 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.627 -0.671 . . . . 0.0 109.994 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 26.4 mttt -110.99 -2.28 16.01 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.96 . . . . 0.0 109.387 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.99 -44.78 83.06 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.119 179.585 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.75 -39.05 90.68 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.172 -0.955 . . . . 0.0 108.65 178.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -61.08 -40.8 95.05 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.425 -0.797 . . . . 0.0 108.887 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.564 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.2 mmt -70.94 -45.78 63.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.25 -0.906 . . . . 0.0 110.102 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.4 -27.89 48.97 Favored Glycine 0 N--CA 1.485 1.96 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 179.332 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.488 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 17.2 t80 -95.38 -54.14 3.51 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.749 -0.853 . . . . 0.0 110.362 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.659 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 68.5 m-85 -77.96 -44.61 26.29 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.245 -0.909 . . . . 0.0 111.179 -178.699 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -140.55 72.27 30.74 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 120.621 -1.299 . . . . 0.0 111.08 -179.307 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.15 -33.56 30.89 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.465 2.11 . . . . 0.0 111.718 179.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.7 t -79.35 -42.92 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 109.571 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.501 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 55.2 m -58.11 -38.22 76.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.385 -0.822 . . . . 0.0 110.635 -179.726 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.564 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.2 m -86.42 -6.02 59.02 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.085 -1.009 . . . . 0.0 110.679 -178.617 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.26 35.18 24.29 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 119.607 -1.283 . . . . 0.0 110.841 178.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.1 m-30 -105.57 -14.29 15.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.042 -1.269 . . . . 0.0 108.051 178.769 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.298 -1.659 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.744 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.184 0.516 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.57 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 47.3 p30 -72.85 140.63 47.73 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.488 -0.757 . . . . 0.0 109.221 179.296 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.627 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -66.38 141.11 58.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.136 -0.978 . . . . 0.0 109.446 -179.702 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -89.32 -23.35 22.28 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.355 -0.841 . . . . 0.0 109.928 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -85.24 -7.53 58.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.108 -0.995 . . . . 0.0 109.413 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -111.35 136.52 50.35 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.547 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -81.2 85.13 6.41 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.211 -0.93 . . . . 0.0 108.655 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.3 m -68.74 -34.82 76.24 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.349 -0.844 . . . . 0.0 109.408 -179.376 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.43 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -61.57 -46.67 88.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.503 -0.748 . . . . 0.0 109.028 179.729 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.514 ' HG3' HD22 ' A' ' 26' ' ' ASN . 13.2 ttt-85 -68.87 -44.5 73.17 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.301 -0.874 . . . . 0.0 108.951 179.495 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -64.73 -36.92 85.85 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.398 -0.814 . . . . 0.0 109.396 179.453 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 30.4 tp -64.38 -50.94 65.71 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.275 -0.89 . . . . 0.0 110.5 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 37.7 ptt180 -66.79 -22.97 66.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.937 -1.102 . . . . 0.0 108.971 -179.785 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.514 HD22 ' HG3' ' A' ' 22' ' ' ARG . 98.1 m-20 -77.59 -2.76 37.39 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.285 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.82 21.57 65.74 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.429 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.9 t0 -57.21 -39.3 75.15 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.246 -1.15 . . . . 0.0 109.43 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 32.4 m -66.95 -20.32 65.87 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.511 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -93.68 1.46 56.58 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.44 -0.787 . . . . 0.0 110.084 -179.186 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.498 HD21 ' HE3' ' A' ' 34' ' ' LYS . 40.2 t-20 -102.98 117.24 34.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -0.936 . . . . 0.0 109.369 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.2 -32.43 69.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.955 . . . . 0.0 109.187 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -66.34 -24.81 66.58 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.555 -0.716 . . . . 0.0 109.417 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HE3' HD21 ' A' ' 31' ' ' ASN . 75.0 mttt -111.51 -1.26 15.91 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.326 -0.859 . . . . 0.0 109.734 -179.558 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -57.67 -48.67 78.87 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.386 -0.925 . . . . 0.0 109.771 -179.7 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.16 -38.42 90.52 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.209 -0.932 . . . . 0.0 108.615 179.239 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.36 -39.3 86.7 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.517 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 36.1 mmt -69.41 -46.64 66.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.352 -0.842 . . . . 0.0 109.88 179.504 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.75 -27.16 55.2 Favored Glycine 0 N--CA 1.487 2.076 0 N-CA-C 108.501 -1.839 . . . . 0.0 108.501 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.438 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 30.2 t80 -93.38 -51.9 4.76 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.715 -0.874 . . . . 0.0 110.35 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.584 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 46.1 m-85 -79.56 -50.26 10.98 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.138 -0.976 . . . . 0.0 111.039 -178.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 m -135.55 74.86 58.74 Favored Pre-proline 0 C--N 1.302 -1.47 0 O-C-N 120.727 -1.233 . . . . 0.0 110.767 -179.02 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.57 -34.84 31.65 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.331 2.02 . . . . 0.0 111.279 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.5 t -78.21 -44.29 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.506 -0.746 . . . . 0.0 109.186 179.64 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.5 m -55.07 -40.16 70.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.475 -0.766 . . . . 0.0 110.683 -179.44 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 63.9 m -86.39 -3.18 58.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.141 -0.974 . . . . 0.0 110.787 -178.68 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.47 34.97 34.27 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 119.691 -1.242 . . . . 0.0 110.813 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 18.0 m-30 -103.57 -14.85 16.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.937 -1.331 . . . . 0.0 107.904 178.573 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.301 -1.523 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.353 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.228 0.537 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.453 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 82.6 m-20 -71.08 135.06 47.52 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.157 -0.965 . . . . 0.0 108.607 179.075 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.603 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -57.45 137.99 55.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.124 -0.985 . . . . 0.0 109.451 -179.464 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -81.53 -30.59 33.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.388 -0.82 . . . . 0.0 109.872 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -86.97 0.35 55.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.936 . . . . 0.0 109.878 -179.474 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -112.09 133.91 53.95 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.148 -0.97 . . . . 0.0 109.227 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -80.6 84.39 6.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.967 -1.083 . . . . 0.0 108.229 179.612 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.3 m -70.24 -35.03 73.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.459 -0.776 . . . . 0.0 109.256 -179.311 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.416 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 1.1 tmt_? -61.16 -46.72 89.35 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.373 -0.829 . . . . 0.0 108.879 179.859 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.535 ' HG3' HD22 ' A' ' 26' ' ' ASN . 7.9 ttt180 -67.76 -47.15 70.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.285 -0.885 . . . . 0.0 109.479 179.404 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -61.89 -36.25 80.73 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.401 -0.812 . . . . 0.0 109.498 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 27.7 tp -63.52 -48.91 75.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.098 -1.001 . . . . 0.0 110.002 -179.801 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 14.9 ptm180 -68.39 -25.02 64.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.135 -0.978 . . . . 0.0 109.287 -179.81 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.535 HD22 ' HG3' ' A' ' 22' ' ' ARG . 95.7 m-20 -74.6 -2.54 26.47 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.421 -0.8 . . . . 0.0 109.366 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 21.81 64.07 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.692 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.87 -42.17 93.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.235 -1.156 . . . . 0.0 109.688 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.414 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 37.9 m -64.98 -18.31 65.17 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.312 -0.867 . . . . 0.0 108.837 179.767 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -96.78 1.36 50.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 110.209 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.485 HD21 ' HE3' ' A' ' 34' ' ' LYS . 51.6 t-20 -100.81 115.51 30.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.152 -0.968 . . . . 0.0 109.576 -179.555 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -57.02 -33.82 67.57 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.324 -0.86 . . . . 0.0 109.308 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 63.8 t0 -68.07 -24.81 65.1 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.554 -0.716 . . . . 0.0 110.285 -179.801 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HE3' HD21 ' A' ' 31' ' ' ASN . 52.2 mttt -109.81 -2.08 17.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.092 -1.005 . . . . 0.0 109.436 -179.402 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.54 -47.54 76.18 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.063 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.24 -40.41 95.95 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.217 -0.927 . . . . 0.0 108.686 178.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -58.02 -41.63 83.56 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.279 -0.888 . . . . 0.0 108.836 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.618 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -68.24 -47.42 67.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.383 -0.823 . . . . 0.0 110.21 -179.624 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.62 -27.79 55.38 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 179.618 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 36.1 t80 -94.38 -51.49 4.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.65 -0.912 . . . . 0.0 110.198 -179.647 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.573 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 64.2 m-85 -80.37 -46.56 15.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.449 -0.782 . . . . 0.0 110.966 -178.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.9 m -139.2 72.3 39.1 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 120.663 -1.273 . . . . 0.0 110.931 -179.283 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -66.04 -33.44 41.34 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.671 2.248 . . . . 0.0 111.558 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -78.7 -42.04 24.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.344 -0.847 . . . . 0.0 109.26 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.453 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 48.0 m -58.36 -39.17 78.82 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.57 -0.706 . . . . 0.0 110.757 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.618 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 69.3 m -87.1 -2.84 58.93 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.168 -0.957 . . . . 0.0 110.529 -178.314 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.16 37.08 29.51 Favored Glycine 0 N--CA 1.491 2.303 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.816 178.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.5 m-30 -106.68 -12.91 15.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.981 -1.305 . . . . 0.0 108.094 178.822 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.299 -1.618 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.438 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.192 0.52 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -72.81 133.18 44.36 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.315 -0.866 . . . . 0.0 109.189 179.329 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.55 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -60.02 141.61 55.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 0.0 109.482 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.626 ' HZ1' ' ND2' ' A' ' 17' ' ' ASN . 17.8 pttm -88.02 -23.44 23.79 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.46 -0.775 . . . . 0.0 109.854 -179.905 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.626 ' ND2' ' HZ1' ' A' ' 16' ' ' LYS . 72.0 m-80 -86.74 -6.46 58.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.042 -1.036 . . . . 0.0 109.634 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -115.15 134.32 55.26 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.274 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -82.48 106.12 14.09 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.815 -1.178 . . . . 0.0 108.984 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.4 m -80.15 -39.87 28.49 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.505 -0.747 . . . . 0.0 109.732 -179.595 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -43.69 94.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.286 -0.884 . . . . 0.0 109.207 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.471 ' HG3' HD22 ' A' ' 26' ' ' ASN . 9.4 ttp180 -67.55 -47.55 69.53 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.266 -0.896 . . . . 0.0 109.55 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 m -65.07 -37.11 86.48 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.438 -0.789 . . . . 0.0 109.079 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 29.1 tp -64.76 -48.4 74.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.317 -0.865 . . . . 0.0 110.537 -179.837 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 24.9 ptt180 -67.92 -22.3 65.07 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.942 -1.099 . . . . 0.0 108.906 -179.741 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.471 HD22 ' HG3' ' A' ' 22' ' ' ARG . 95.7 m-20 -81.16 -1.13 43.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.52 -0.738 . . . . 0.0 109.442 179.394 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 22.27 63.61 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.431 ' C ' ' OD1' ' A' ' 28' ' ' ASP . 21.8 t0 -59.16 -40.53 85.87 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.22 -1.165 . . . . 0.0 109.451 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.453 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 29.9 m -64.44 -19.63 65.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.066 -1.021 . . . . 0.0 108.49 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -96.88 -1.11 46.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.448 -0.783 . . . . 0.0 110.052 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.408 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 47.5 t-20 -98.22 114.0 26.11 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.971 -1.081 . . . . 0.0 109.39 -179.595 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -56.94 -33.73 67.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.358 -0.839 . . . . 0.0 109.022 -179.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -67.38 -23.7 65.61 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.701 -0.625 . . . . 0.0 110.05 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HG3' ' ND2' ' A' ' 31' ' ' ASN . 28.3 mttt -112.46 -0.54 15.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.116 -0.99 . . . . 0.0 109.971 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.66 -46.25 77.54 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 108.76 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.05 -37.35 87.28 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.25 -41.22 96.54 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.157 -0.965 . . . . 0.0 108.936 179.662 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.591 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.08 -45.84 66.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.302 -0.874 . . . . 0.0 109.586 179.628 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.12 -28.93 59.06 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 21.2 t80 -94.87 -52.16 4.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.598 -0.942 . . . . 0.0 110.355 -179.77 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.55 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 67.7 m-85 -79.78 -48.98 12.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.135 -0.978 . . . . 0.0 111.25 -178.651 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' MET . 25.5 m -135.33 70.37 68.07 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 120.694 -1.254 . . . . 0.0 110.938 -178.581 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.53 -34.09 43.82 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.76 2.307 . . . . 0.0 111.703 179.117 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -77.02 -42.92 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.389 -0.819 . . . . 0.0 109.916 -179.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.3 m -61.36 -37.04 81.94 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.247 -0.908 . . . . 0.0 110.983 -179.373 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 58.3 m -86.31 -0.41 55.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.988 -1.07 . . . . 0.0 110.614 -178.48 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.21 35.12 39.03 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.701 -1.237 . . . . 0.0 110.497 178.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.8 m-30 -106.36 -13.0 15.49 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.113 -1.228 . . . . 0.0 108.084 178.853 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.303 -1.452 0 O-C-N 121.632 -0.667 . . . . 0.0 109.502 179.362 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 121.264 0.554 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.586 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 55.5 p30 -69.25 138.96 54.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.185 -0.947 . . . . 0.0 109.836 -179.677 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.606 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -66.15 140.14 58.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.925 . . . . 0.0 109.37 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -85.21 -24.23 27.94 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.345 -0.847 . . . . 0.0 109.779 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -89.19 -1.96 58.3 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.228 -0.92 . . . . 0.0 109.725 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -113.17 132.06 55.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.132 -0.98 . . . . 0.0 109.104 179.792 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -79.22 84.71 5.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.082 -1.011 . . . . 0.0 108.654 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 m -70.6 -35.92 73.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.359 -0.838 . . . . 0.0 109.52 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.479 ' CD ' ' C ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.97 -47.57 85.26 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.428 -0.795 . . . . 0.0 108.88 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.506 ' HG3' HD22 ' A' ' 26' ' ' ASN . 12.6 ttt85 -69.8 -43.63 71.72 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.3 -0.875 . . . . 0.0 109.377 179.551 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.3 m -64.72 -37.26 86.99 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.398 -0.814 . . . . 0.0 109.29 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 31.3 tp -63.81 -49.11 74.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.295 -0.878 . . . . 0.0 110.393 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 24.9 ptt180 -68.54 -17.97 64.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.132 -0.98 . . . . 0.0 109.064 -179.564 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.506 HD22 ' HG3' ' A' ' 22' ' ' ARG . 96.5 m-20 -83.36 -2.3 55.41 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.437 -0.789 . . . . 0.0 109.207 179.658 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.22 22.45 60.77 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 -179.394 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.421 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 16.3 t0 -59.52 -39.27 83.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.254 -1.145 . . . . 0.0 109.089 179.887 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 27.5 m -66.95 -20.3 65.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.228 -0.92 . . . . 0.0 108.659 179.339 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -96.29 -0.94 48.94 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.419 -0.801 . . . . 0.0 110.203 -179.451 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -97.61 116.76 30.44 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.001 -1.062 . . . . 0.0 109.245 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.55 -33.26 69.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.461 -0.774 . . . . 0.0 109.001 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -66.38 -27.79 68.13 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.579 -0.701 . . . . 0.0 109.933 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.421 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 23.5 mttt -108.43 -1.5 19.82 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.185 -0.947 . . . . 0.0 109.831 -178.763 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 mt -55.17 -46.78 75.79 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.23 -0.919 . . . . 0.0 109.449 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.34 -38.83 92.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 108.917 179.153 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.77 -40.67 88.98 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.251 -0.906 . . . . 0.0 109.073 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.54 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -69.32 -44.52 71.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.434 -0.791 . . . . 0.0 110.397 -179.68 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.38 -27.85 63.81 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 28.4 t80 -94.96 -55.67 3.01 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.661 -0.905 . . . . 0.0 110.702 -179.581 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.562 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 69.9 m-85 -76.39 -48.36 20.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.933 . . . . 0.0 111.295 -178.738 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.488 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.8 m -135.99 70.08 63.79 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 120.717 -1.239 . . . . 0.0 111.088 -178.855 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' MET . 35.8 Cg_endo -66.71 -32.29 38.02 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.303 2.002 . . . . 0.0 111.585 179.355 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.9 t -79.58 -43.62 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.507 -0.746 . . . . 0.0 109.54 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.5 m -59.79 -37.32 78.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.307 -0.871 . . . . 0.0 110.608 -179.425 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.54 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 57.5 m -85.57 -9.13 57.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.003 -1.06 . . . . 0.0 110.265 -178.635 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.82 38.09 9.75 Favored Glycine 0 N--CA 1.491 2.335 0 C-N-CA 119.736 -1.221 . . . . 0.0 112.002 177.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 36.4 m-85 -105.78 -18.64 14.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.711 -1.464 . . . . 0.0 107.739 177.915 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.51 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 120.961 0.41 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.585 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 52.1 p30 -76.04 141.97 41.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.105 -0.997 . . . . 0.0 109.001 179.046 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.96 136.27 57.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.944 -1.097 . . . . 0.0 109.824 -179.413 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.71 ' HZ2' HD22 ' A' ' 17' ' ' ASN . 19.3 pttm -86.28 -15.73 39.76 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.35 -0.843 . . . . 0.0 108.801 178.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.71 HD22 ' HZ2' ' A' ' 16' ' ' LYS . 73.9 m-20 -93.26 -15.63 25.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.551 -0.718 . . . . 0.0 109.71 -179.652 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -105.31 129.53 53.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -0.91 . . . . 0.0 109.162 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -74.83 86.71 2.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.127 -0.983 . . . . 0.0 109.03 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.67 -35.93 73.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.391 -0.818 . . . . 0.0 109.233 -179.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.72 ' HE ' HH21 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -58.25 -43.88 88.08 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.412 ' HG3' HD22 ' A' ' 26' ' ' ASN . 9.0 ttt85 -68.04 -46.96 69.69 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.302 -0.874 . . . . 0.0 109.598 179.402 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.5 p -65.41 -35.42 80.89 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.314 -0.866 . . . . 0.0 109.323 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 31.4 tp -62.57 -47.2 84.86 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.217 -0.927 . . . . 0.0 110.173 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.72 HH21 ' HE ' ' A' ' 21' ' ' ARG . 13.4 ptp180 -67.61 -25.32 65.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.147 -0.97 . . . . 0.0 109.101 -179.787 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.412 HD22 ' HG3' ' A' ' 22' ' ' ARG . 90.3 m-20 -77.15 -2.05 32.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.459 -0.776 . . . . 0.0 109.557 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.86 23.16 60.17 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.45 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.5 t0 -60.46 -38.49 84.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.286 -1.126 . . . . 0.0 109.881 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.433 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 25.5 m -66.84 -20.37 65.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.993 -1.067 . . . . 0.0 108.25 179.397 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -94.69 -2.6 50.88 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.676 -0.64 . . . . 0.0 110.116 -179.433 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.452 HD21 ' HE3' ' A' ' 34' ' ' LYS . 52.2 t-20 -98.81 114.93 27.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.037 -1.039 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 35' ' ' LEU . 49.7 t0 -58.42 -33.15 69.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.426 -0.796 . . . . 0.0 109.28 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -66.36 -23.85 66.41 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.368 -0.832 . . . . 0.0 109.867 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HE3' HD21 ' A' ' 31' ' ' ASN . 42.7 mttt -111.37 -1.57 15.94 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.117 -0.99 . . . . 0.0 109.685 -179.225 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 32' ' ' ASP . 14.6 mt -57.04 -44.04 82.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.179 -0.95 . . . . 0.0 109.435 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.66 -38.67 89.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.048 -1.033 . . . . 0.0 108.483 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.92 -42.22 97.7 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.609 -0.837 . . . . 0.0 108.792 179.517 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.53 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.1 mmt -70.45 -46.15 64.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.508 -0.745 . . . . 0.0 110.051 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.75 -25.91 56.67 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 108.398 -1.881 . . . . 0.0 108.398 179.383 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -95.43 -54.32 3.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.591 -0.946 . . . . 0.0 110.024 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -78.81 -47.29 16.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.164 -0.96 . . . . 0.0 111.268 -178.843 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.5 m -135.96 71.56 62.6 Favored Pre-proline 0 N--CA 1.489 1.507 0 C-N-CA 118.905 -1.118 . . . . 0.0 111.151 -178.594 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.13 -32.24 27.94 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.523 2.148 . . . . 0.0 111.28 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.7 t -78.18 -43.47 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.409 -0.807 . . . . 0.0 109.706 179.785 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.0 m -61.21 -38.29 86.07 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.393 -0.817 . . . . 0.0 110.82 -179.025 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 57.8 m -86.1 -3.29 58.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.047 -1.033 . . . . 0.0 110.618 -178.461 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.59 35.17 33.19 Favored Glycine 0 N--CA 1.491 2.327 0 C-N-CA 120.075 -1.06 . . . . 0.0 111.224 178.699 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -104.4 -10.55 17.66 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.895 -1.356 . . . . 0.0 107.933 178.563 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.3 -1.545 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.559 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -74.75 130.87 40.24 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.276 -0.89 . . . . 0.0 109.178 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 74.1 mt -79.91 1.15 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.188 -0.945 . . . . 0.0 109.622 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -72.06 -2.91 20.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.094 -1.004 . . . . 0.0 109.214 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 t -92.61 -3.02 55.65 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.507 -0.746 . . . . 0.0 109.327 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.8 -28.9 69.35 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.246 -0.909 . . . . 0.0 109.426 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.02 128.06 33.28 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.375 -0.828 . . . . 0.0 109.684 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -108.98 10.57 26.25 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.368 -0.832 . . . . 0.0 108.969 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.63 12.55 24.99 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.415 -0.803 . . . . 0.0 109.543 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.2 -26.68 67.51 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.357 -0.839 . . . . 0.0 109.337 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -106.06 122.46 46.22 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.147 -0.971 . . . . 0.0 109.502 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.8 m -109.18 145.31 36.01 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.554 -0.716 . . . . 0.0 109.118 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.39 152.74 49.98 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.273 -0.892 . . . . 0.0 109.892 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.544 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 51.0 p30 -76.48 148.72 37.01 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.239 -0.913 . . . . 0.0 108.571 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 136.08 54.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.841 -1.162 . . . . 0.0 110.095 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' NZ ' HD22 ' A' ' 17' ' ' ASN . 23.7 pttm -80.34 -27.12 38.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.593 -0.692 . . . . 0.0 109.296 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.57 HD22 ' NZ ' ' A' ' 16' ' ' LYS . 80.9 m-20 -91.02 -8.19 49.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.43 -0.794 . . . . 0.0 109.917 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -104.94 132.43 51.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.957 . . . . 0.0 108.94 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -79.9 84.93 5.59 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.231 -0.918 . . . . 0.0 108.934 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 m -70.67 -33.94 71.47 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.303 -0.873 . . . . 0.0 109.445 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.86 -49.42 77.55 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.433 -0.792 . . . . 0.0 108.877 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HG3' HD22 ' A' ' 26' ' ' ASN . 10.1 ttt85 -67.26 -44.13 80.13 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.354 -0.841 . . . . 0.0 109.343 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.8 m -63.89 -36.2 83.15 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 109.155 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.475 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 34.4 tp -65.93 -46.81 76.83 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.283 -0.886 . . . . 0.0 110.661 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 31.3 ptt180 -68.48 -24.88 64.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.03 -1.044 . . . . 0.0 108.74 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.508 HD22 ' HG3' ' A' ' 22' ' ' ARG . 92.4 m-20 -76.53 -2.67 33.5 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.95 23.14 62.23 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.246 -1.541 . . . . 0.0 109.246 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.412 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.8 t0 -58.17 -39.21 78.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.321 -1.105 . . . . 0.0 109.255 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.475 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 25.3 m -67.02 -20.95 65.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 108.813 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -93.66 -2.0 54.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.319 -0.863 . . . . 0.0 110.172 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -98.57 113.89 26.11 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.028 -1.045 . . . . 0.0 109.183 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -56.42 -34.0 66.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.157 -0.965 . . . . 0.0 109.167 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -65.42 -24.65 67.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.463 -0.773 . . . . 0.0 109.959 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 27.9 mttm -110.56 -3.15 16.1 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.099 -1.001 . . . . 0.0 109.581 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.27 -42.06 73.07 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.849 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -67.17 -39.58 86.49 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.29 -0.882 . . . . 0.0 108.763 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.25 -39.45 90.41 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.421 -0.799 . . . . 0.0 109.154 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.541 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.7 mmt -70.11 -46.4 64.9 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.694 -0.629 . . . . 0.0 110.483 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.89 -27.51 59.48 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.345 -1.902 . . . . 0.0 108.345 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -94.44 -53.27 3.98 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.718 -0.872 . . . . 0.0 110.38 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -80.16 -46.84 15.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.066 -1.021 . . . . 0.0 111.447 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.2 m -136.33 70.43 61.3 Favored Pre-proline 0 N--CA 1.489 1.482 0 O-C-N 120.693 -1.254 . . . . 0.0 110.869 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.81 -33.11 44.69 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.545 2.163 . . . . 0.0 111.233 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -78.42 -44.91 26.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.617 -0.677 . . . . 0.0 109.675 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.0 m -58.91 -38.87 79.91 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.407 -0.808 . . . . 0.0 110.952 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.541 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 69.7 m -85.89 -2.19 58.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.891 -1.13 . . . . 0.0 110.633 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.35 38.1 26.18 Favored Glycine 0 N--CA 1.49 2.281 0 C-N-CA 119.64 -1.267 . . . . 0.0 110.872 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.0 m-30 -107.8 -12.16 15.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.884 -1.362 . . . . 0.0 108.068 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.8 t -154.21 174.97 14.05 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -105.19 157.14 34.98 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.315 -0.866 . . . . 0.0 109.601 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 N--CA 1.497 1.682 0 C-N-CA 123.025 2.483 . . . . 0.0 112.831 -179.756 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.562 ' CG ' ' H ' ' A' ' 2' ' ' ASP . 40.0 t-20 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.562 ' H ' ' CG ' ' A' ' 1' ' ' ASN . 87.0 m-20 -67.07 143.39 56.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.033 -1.042 . . . . 0.0 109.369 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 92.7 mt -72.42 -0.91 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.169 -0.957 . . . . 0.0 109.161 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -79.71 4.42 16.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.245 -0.909 . . . . 0.0 109.016 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 t -71.01 2.8 3.94 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.425 -0.797 . . . . 0.0 109.646 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.27 -19.32 59.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.306 -0.871 . . . . 0.0 109.908 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.3 156.77 36.8 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.075 -1.016 . . . . 0.0 109.802 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -90.7 10.94 23.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.244 -0.91 . . . . 0.0 108.818 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.98 20.67 2.18 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.314 -0.866 . . . . 0.0 110.138 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.19 -13.06 59.64 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.998 -1.063 . . . . 0.0 108.839 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -98.22 118.66 35.36 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.259 -0.9 . . . . 0.0 108.663 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.8 m -112.02 137.42 50.05 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.36 149.76 48.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.241 -0.912 . . . . 0.0 110.136 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.511 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 88.0 m-20 -68.72 139.65 55.37 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.308 -0.87 . . . . 0.0 108.825 179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 139.51 54.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.156 -0.965 . . . . 0.0 109.565 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -83.23 -25.59 31.57 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.301 -0.874 . . . . 0.0 109.548 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -92.6 -4.02 54.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.945 . . . . 0.0 109.816 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -108.73 132.96 53.44 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.185 -0.947 . . . . 0.0 109.174 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -80.25 84.79 5.86 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.213 -0.93 . . . . 0.0 109.06 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.0 m -67.29 -34.58 77.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.309 -0.869 . . . . 0.0 108.973 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.73 -45.23 95.07 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.637 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.513 ' HG3' HD22 ' A' ' 26' ' ' ASN . 7.3 ttp180 -69.68 -47.61 62.64 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.34 -0.85 . . . . 0.0 109.524 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -63.46 -36.66 84.5 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.502 -0.749 . . . . 0.0 109.192 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.415 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 45.2 tp -63.74 -50.78 67.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.218 -0.926 . . . . 0.0 110.609 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 18.6 ptt180 -67.21 -25.09 65.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.09 -1.006 . . . . 0.0 109.124 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.513 HD22 ' HG3' ' A' ' 22' ' ' ARG . 94.0 m-20 -75.96 -3.03 33.28 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.46 25.39 59.01 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -60.89 -40.32 92.58 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.458 -1.025 . . . . 0.0 109.002 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.415 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 26.4 m -66.1 -20.69 66.24 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -96.74 2.87 52.46 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.423 -0.798 . . . . 0.0 109.869 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.447 HD21 ' HE3' ' A' ' 34' ' ' LYS . 50.3 t-20 -100.82 114.75 28.83 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 109.26 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -56.63 -34.1 66.94 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.355 -0.841 . . . . 0.0 109.246 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -67.49 -25.87 66.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.404 -0.81 . . . . 0.0 109.934 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HE3' HD21 ' A' ' 31' ' ' ASN . 75.6 mttt -109.41 -2.84 17.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.23 -0.919 . . . . 0.0 109.802 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 mt -52.71 -46.8 67.51 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.536 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -65.54 -39.83 92.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -0.923 . . . . 0.0 109.183 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -58.38 -40.56 82.67 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.427 -0.795 . . . . 0.0 109.332 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.585 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.3 mmt -70.47 -45.3 65.99 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.433 -0.792 . . . . 0.0 110.162 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.99 -28.14 57.8 Favored Glycine 0 N--CA 1.483 1.81 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -94.88 -55.58 3.06 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.64 -0.918 . . . . 0.0 110.662 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -77.05 -47.61 20.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.174 -0.954 . . . . 0.0 111.027 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 38' ' ' MET . 9.7 m -134.96 71.5 69.35 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 120.679 -1.263 . . . . 0.0 110.824 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.94 -33.58 32.39 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.653 2.235 . . . . 0.0 111.624 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 81.9 t -78.88 -44.32 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.524 -0.735 . . . . 0.0 110.095 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.511 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 35.2 m -59.48 -38.86 81.93 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.368 -0.832 . . . . 0.0 110.608 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.585 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 93.3 m -85.69 -13.07 49.61 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.136 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.6 36.6 8.54 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.878 -1.153 . . . . 0.0 112.214 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.54 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 38.7 m-85 -104.66 -13.12 16.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.644 -1.503 . . . . 0.0 107.54 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -148.96 176.09 10.73 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' A' ' 50' ' ' GLU . 22.1 mp0 -111.73 150.97 43.05 Favored Pre-proline 0 C--N 1.303 -1.422 0 O-C-N 121.439 -0.788 . . . . 0.0 109.12 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.305 -1.725 0 C-N-CA 122.509 2.14 . . . . 0.0 112.517 179.848 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.2 m120 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.365 0.602 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -67.13 143.73 56.47 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.073 -1.017 . . . . 0.0 108.982 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 76.2 mt -74.17 -0.34 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.299 -0.875 . . . . 0.0 109.267 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -75.77 2.37 12.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.35 -0.844 . . . . 0.0 109.186 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 t -79.43 1.99 23.44 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.168 -0.958 . . . . 0.0 109.027 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.35 -2.53 35.46 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.278 -0.888 . . . . 0.0 109.531 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 140.76 58.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.243 -0.911 . . . . 0.0 109.811 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -102.2 -0.1 33.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.354 -0.841 . . . . 0.0 109.23 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.46 20.73 1.53 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.361 -0.837 . . . . 0.0 109.491 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -70.93 -8.95 56.65 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.219 -0.925 . . . . 0.0 109.095 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -101.33 125.68 47.99 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.258 -0.902 . . . . 0.0 109.041 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.1 m -111.67 161.12 16.59 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.57 149.56 48.14 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.1 -1.0 . . . . 0.0 110.028 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.536 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 81.6 m-20 -63.99 138.12 58.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.334 -0.854 . . . . 0.0 109.076 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.58 136.57 58.1 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.012 -1.055 . . . . 0.0 109.674 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -75.81 -28.99 58.54 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.204 -0.935 . . . . 0.0 109.91 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -91.96 -5.48 53.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.023 -1.048 . . . . 0.0 109.947 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.434 ' CE1' ' HE2' ' A' ' 38' ' ' MET . 38.3 t80 -103.82 133.11 49.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.131 -0.981 . . . . 0.0 109.115 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -82.12 84.75 6.93 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.247 -0.908 . . . . 0.0 108.734 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.6 m -67.37 -35.43 79.33 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.469 -0.77 . . . . 0.0 109.289 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.641 HH12 ' NH1' ' A' ' 25' ' ' ARG . 1.1 tmt_? -61.14 -46.12 91.86 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.542 0.687 . . . . 0.0 109.322 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.536 ' HG3' HD22 ' A' ' 26' ' ' ASN . 13.6 ttt180 -68.77 -46.96 67.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.123 -0.985 . . . . 0.0 109.678 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.5 m -64.42 -35.59 81.41 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.511 -0.743 . . . . 0.0 109.708 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 28.2 tp -65.61 -50.66 64.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.973 -1.079 . . . . 0.0 110.222 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.641 ' NH1' HH12 ' A' ' 21' ' ' ARG . 39.3 ptt180 -65.91 -22.74 66.52 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.984 -1.073 . . . . 0.0 108.611 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.536 HD22 ' HG3' ' A' ' 22' ' ' ARG . 92.2 m-20 -78.37 -2.02 36.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.543 -0.723 . . . . 0.0 109.709 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.47 20.28 69.46 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.402 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.0 t0 -59.26 -40.14 85.08 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.434 -1.039 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.476 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 42.0 m -66.8 -22.03 66.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 0.0 108.642 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -93.19 -1.01 56.71 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.513 -0.742 . . . . 0.0 110.185 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -98.34 115.1 27.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.991 -1.068 . . . . 0.0 109.369 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -56.57 -34.07 66.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -0.897 . . . . 0.0 109.376 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -67.11 -24.05 65.89 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.537 -0.727 . . . . 0.0 110.327 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 17.5 mttt -109.93 -2.16 17.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.205 -0.934 . . . . 0.0 110.074 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.9 mt -56.2 -44.76 79.79 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.251 -0.905 . . . . 0.0 109.427 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.06 -41.39 95.18 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.275 -0.891 . . . . 0.0 109.157 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -61.93 -38.37 88.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.433 -0.792 . . . . 0.0 109.458 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.56 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.1 mmt -68.04 -45.22 74.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.356 -0.84 . . . . 0.0 109.462 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.98 -27.41 64.62 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.283 -1.927 . . . . 0.0 108.283 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 38.1 t80 -90.14 -50.02 6.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.745 -0.856 . . . . 0.0 109.87 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -83.64 -54.26 5.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.215 -0.928 . . . . 0.0 111.042 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.5 m -131.57 76.55 74.84 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 120.76 -1.213 . . . . 0.0 110.887 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.83 -32.42 22.86 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.381 2.054 . . . . 0.0 110.639 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.7 t -78.89 -43.33 24.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.55 -0.719 . . . . 0.0 109.422 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.536 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 55.6 m -58.04 -39.5 78.57 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.461 -0.774 . . . . 0.0 110.781 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.56 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 70.6 m -86.46 -4.2 59.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.102 -0.999 . . . . 0.0 110.852 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.26 38.55 14.7 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.841 -1.171 . . . . 0.0 111.088 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 14.7 m-30 -108.01 -14.94 14.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.985 -1.303 . . . . 0.0 107.965 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m -128.51 170.05 13.63 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' CD ' ' N ' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -106.24 117.93 56.1 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.196 -0.94 . . . . 0.0 109.363 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo . . . . . 0 C--N 1.308 -1.559 0 C-N-CA 122.223 1.949 . . . . 0.0 112.193 -179.749 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.2 m120 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -68.98 141.63 54.87 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 109.324 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.402 ' O ' ' CG2' ' A' ' 3' ' ' ILE . 94.4 mt -70.61 2.24 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.301 -0.874 . . . . 0.0 109.659 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -74.84 -0.06 17.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 109.638 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 t -87.31 2.53 49.95 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.185 -0.947 . . . . 0.0 109.487 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.68 -5.86 36.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.377 -0.827 . . . . 0.0 109.91 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.54 141.37 57.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.93 -1.106 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -99.32 9.12 43.96 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.384 -0.822 . . . . 0.0 109.059 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.55 18.05 6.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.389 -0.819 . . . . 0.0 109.949 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -67.79 -25.57 65.66 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 0.0 109.547 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -102.97 120.99 41.62 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.284 -0.885 . . . . 0.0 109.091 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.6 m -111.35 149.84 30.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.49 -0.756 . . . . 0.0 109.35 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.78 152.0 48.71 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.146 -0.971 . . . . 0.0 110.207 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.549 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 47.1 p30 -74.21 145.7 43.92 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.232 -0.917 . . . . 0.0 109.135 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.5 134.53 51.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.001 -1.062 . . . . 0.0 109.474 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.686 ' HZ1' ' ND2' ' A' ' 17' ' ' ASN . 18.1 pttp -81.76 -25.6 35.18 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.426 -0.796 . . . . 0.0 109.47 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.686 ' ND2' ' HZ1' ' A' ' 16' ' ' LYS . 75.8 m-20 -88.17 -5.2 58.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.0 110.039 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -111.85 135.5 52.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.96 . . . . 0.0 109.016 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -79.96 85.27 5.59 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.214 -0.929 . . . . 0.0 108.612 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.8 m -68.62 -36.72 79.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 109.288 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.404 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.69 -46.53 90.03 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HG3' HD22 ' A' ' 26' ' ' ASN . 12.7 ttm180 -66.78 -47.99 70.42 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.208 -0.933 . . . . 0.0 109.212 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.7 m -62.79 -35.38 79.69 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.339 -0.851 . . . . 0.0 109.164 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 26.8 tp -64.59 -50.87 65.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.331 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.418 HH21 ' HE ' ' A' ' 22' ' ' ARG . 29.1 ptt180 -66.44 -25.05 66.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.011 -1.056 . . . . 0.0 108.771 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.489 HD22 ' HG3' ' A' ' 22' ' ' ARG . 97.1 m-20 -75.45 -1.35 23.65 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.03 22.11 72.23 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.42 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.6 t0 -57.71 -38.67 75.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.282 -1.128 . . . . 0.0 108.993 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.406 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 34.7 m -66.48 -20.28 66.0 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -95.84 3.2 53.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.47 -0.768 . . . . 0.0 109.957 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -101.12 114.33 28.18 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.079 -1.013 . . . . 0.0 109.3 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -55.29 -34.82 64.46 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.511 -0.743 . . . . 0.0 109.095 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -67.7 -26.1 66.0 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.641 -0.662 . . . . 0.0 110.343 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 12.9 mttm -108.41 -2.56 18.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.136 -0.977 . . . . 0.0 109.627 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.4 mt -56.02 -46.99 78.63 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.194 -0.941 . . . . 0.0 109.406 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.36 -39.74 94.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.076 -1.015 . . . . 0.0 108.964 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -61.33 -39.1 89.28 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.379 -0.826 . . . . 0.0 109.414 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.558 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.3 mmt -69.26 -44.88 71.03 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.29 -0.881 . . . . 0.0 109.932 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.66 -24.39 56.88 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 30.8 t80 -94.94 -54.92 3.27 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.755 -0.85 . . . . 0.0 110.305 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -77.82 -54.75 5.97 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.181 -0.95 . . . . 0.0 110.587 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.2 m -129.88 74.14 80.87 Favored Pre-proline 0 N--CA 1.487 1.418 0 O-C-N 120.922 -1.111 . . . . 0.0 111.139 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.46 -33.22 38.14 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.723 2.282 . . . . 0.0 111.195 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.7 t -78.69 -43.01 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.557 -0.715 . . . . 0.0 109.595 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 90.3 m -59.27 -38.29 79.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.516 -0.74 . . . . 0.0 110.92 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.558 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 62.3 m -86.53 -3.16 58.98 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.985 -1.072 . . . . 0.0 110.692 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.69 39.33 17.93 Favored Glycine 0 N--CA 1.49 2.264 0 C-N-CA 119.888 -1.148 . . . . 0.0 110.858 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.8 m-30 -110.39 -14.58 14.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.079 -1.248 . . . . 0.0 108.594 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -149.86 176.59 10.6 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.576 -0.702 . . . . 0.0 109.567 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.99 149.93 36.63 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.172 -0.955 . . . . 0.0 109.965 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 N--CA 1.494 1.52 0 C-N-CA 122.83 2.353 . . . . 0.0 112.321 179.662 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.29 0.567 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -80.37 130.31 35.09 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.389 -0.819 . . . . 0.0 109.214 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 76.8 mt -76.26 -1.86 3.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.315 -0.866 . . . . 0.0 109.798 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -75.44 1.81 13.07 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.157 -0.964 . . . . 0.0 109.156 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 t -83.25 3.27 31.96 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.266 -0.896 . . . . 0.0 109.618 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.66 -10.97 60.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.324 -0.86 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.34 135.28 55.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.152 -0.967 . . . . 0.0 109.1 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 10' ' ' GLU . 82.5 m-20 -102.02 0.5 35.18 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.958 -1.088 . . . . 0.0 109.81 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.15 18.38 0.05 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.088 -1.008 . . . . 0.0 109.466 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 8' ' ' ASP . 82.8 tt0 -75.08 -9.71 58.79 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.911 . . . . 0.0 108.715 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -100.98 126.06 47.62 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.415 -0.803 . . . . 0.0 109.13 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.0 m -114.86 159.28 20.85 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.02 149.0 48.64 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.051 -1.031 . . . . 0.0 109.736 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 43.1 p30 -67.74 139.03 56.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.337 -0.852 . . . . 0.0 109.199 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 138.8 58.26 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.919 -1.113 . . . . 0.0 109.743 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.512 ' HZ1' ' ND2' ' A' ' 17' ' ' ASN . 25.7 pttm -84.23 -26.28 28.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.174 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.512 ' ND2' ' HZ1' ' A' ' 16' ' ' LYS . 78.2 m-20 -90.12 -7.57 53.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.441 -0.787 . . . . 0.0 110.508 -179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -109.08 131.49 55.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.879 -1.138 . . . . 0.0 108.985 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -78.0 85.94 4.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.323 -0.86 . . . . 0.0 109.492 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -68.47 -35.87 78.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.377 -0.827 . . . . 0.0 109.215 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.438 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -56.94 -42.34 79.87 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.466 ' HG3' HD22 ' A' ' 26' ' ' ASN . 20.9 ttt-85 -68.62 -47.13 67.45 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.71 -0.619 . . . . 0.0 109.619 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.528 ' HG ' ' N ' ' A' ' 24' ' ' LEU . 79.9 p -67.89 -35.02 77.77 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.384 -0.823 . . . . 0.0 109.053 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.528 ' N ' ' HG ' ' A' ' 23' ' ' SER . 28.0 tp -64.69 -49.36 71.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.413 -0.804 . . . . 0.0 110.391 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 44.2 ptt85 -68.07 -26.23 65.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.2 -0.937 . . . . 0.0 109.259 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.466 HD22 ' HG3' ' A' ' 22' ' ' ARG . 95.9 m-20 -75.81 -1.79 26.86 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.445 -0.785 . . . . 0.0 108.946 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.4 22.6 62.27 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.9 -40.18 79.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -1.166 . . . . 0.0 109.681 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.469 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 30.9 m -63.81 -20.05 65.48 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -96.02 1.91 53.01 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.56 -0.713 . . . . 0.0 110.929 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -102.64 115.69 31.09 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.946 -1.096 . . . . 0.0 109.591 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -56.9 -33.4 66.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.288 -0.882 . . . . 0.0 109.236 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.85 -22.68 64.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.274 -0.891 . . . . 0.0 110.247 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -111.03 -1.87 16.13 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.969 -1.082 . . . . 0.0 109.843 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.5 mt -56.68 -43.81 80.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.183 -0.948 . . . . 0.0 109.351 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.75 -38.05 85.85 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.099 -1.001 . . . . 0.0 108.928 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -60.84 -40.75 94.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.329 -0.857 . . . . 0.0 109.126 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.482 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.9 mmt -70.87 -44.88 65.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.329 -0.857 . . . . 0.0 109.846 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.0 -28.57 58.34 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 108.158 -1.977 . . . . 0.0 108.158 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -94.07 -53.28 4.03 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.774 -0.839 . . . . 0.0 110.64 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -80.56 -48.99 11.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.093 -1.004 . . . . 0.0 111.063 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.9 m -134.87 72.54 68.22 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 120.646 -1.284 . . . . 0.0 110.995 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' MET . 47.0 Cg_endo -69.57 -33.59 17.01 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.473 2.116 . . . . 0.0 111.147 178.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -77.31 -42.34 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.646 -0.659 . . . . 0.0 109.373 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.9 m -60.97 -38.45 86.01 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.556 -0.715 . . . . 0.0 110.946 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 56.5 m -86.36 -1.95 57.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.946 -1.096 . . . . 0.0 110.629 -178.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.26 37.07 25.58 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 120.21 -0.995 . . . . 0.0 111.144 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.5 m-30 -106.36 -15.64 14.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.758 -1.436 . . . . 0.0 108.249 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -127.91 170.67 12.57 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -109.15 116.42 55.3 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.368 -0.833 . . . . 0.0 109.364 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo . . . . . 0 N--CA 1.491 1.327 0 C-N-CA 122.575 2.183 . . . . 0.0 112.428 -179.652 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.6 m120 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -65.81 142.95 57.77 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.315 -0.866 . . . . 0.0 109.254 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 86.8 mt -77.32 6.01 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.223 -0.923 . . . . 0.0 108.738 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -74.98 -3.12 30.4 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.312 -0.868 . . . . 0.0 109.217 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -90.77 -3.8 57.15 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.443 -0.785 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.41 -2.37 38.01 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.348 -0.845 . . . . 0.0 109.382 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.56 141.24 26.14 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.401 -0.812 . . . . 0.0 109.869 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.587 ' C ' ' H ' ' A' ' 10' ' ' GLU . 92.4 m-20 -112.67 12.36 19.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.377 -0.827 . . . . 0.0 110.065 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.21 12.54 0.12 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.031 -1.043 . . . . 0.0 109.413 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.587 ' H ' ' C ' ' A' ' 8' ' ' ASP . 84.6 tt0 -68.89 -25.92 64.84 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.471 -0.768 . . . . 0.0 109.738 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -101.02 122.18 43.09 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.226 -0.921 . . . . 0.0 109.169 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.1 m -91.13 139.92 30.3 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.374 -0.829 . . . . 0.0 108.876 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.51 150.61 47.68 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.242 -0.911 . . . . 0.0 109.862 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.569 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 55.3 p30 -76.32 148.61 37.37 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.294 -0.879 . . . . 0.0 109.348 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.16 138.09 58.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.024 -1.047 . . . . 0.0 109.551 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -87.33 -25.83 23.69 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -87.91 -6.8 57.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.574 -0.704 . . . . 0.0 109.839 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -110.56 129.88 55.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.114 -0.991 . . . . 0.0 109.347 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -75.97 84.12 2.87 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.193 -0.942 . . . . 0.0 108.562 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' LEU . 30.2 m -66.07 -34.17 77.46 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 0.0 108.871 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.414 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.05 -43.84 91.74 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.624 -0.672 . . . . 0.0 109.215 179.618 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.487 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 21.8 ttt-85 -68.28 -46.94 69.01 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.259 -0.901 . . . . 0.0 109.402 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.7 p -66.37 -34.16 77.34 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.23 -0.919 . . . . 0.0 109.063 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.463 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 29.0 tp -65.35 -49.93 67.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.882 . . . . 0.0 110.007 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 22.9 ptt180 -66.21 -24.71 66.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.126 -0.984 . . . . 0.0 108.954 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.46 HD22 ' HG3' ' A' ' 22' ' ' ARG . 97.3 m-20 -77.4 -1.39 29.89 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.58 -0.7 . . . . 0.0 109.424 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 21.05 66.1 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -57.43 -39.76 76.91 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.279 -1.13 . . . . 0.0 109.375 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.463 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 50.4 m -64.91 -21.53 66.84 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -95.36 0.5 53.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.631 -0.668 . . . . 0.0 110.097 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.413 ' ND2' ' HE3' ' A' ' 34' ' ' LYS . 48.9 t-20 -99.17 113.37 25.58 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.004 -1.06 . . . . 0.0 109.072 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -56.77 -34.13 67.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 109.147 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -66.38 -24.51 66.5 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.52 -0.738 . . . . 0.0 110.15 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HE3' ' ND2' ' A' ' 31' ' ' ASN . 24.5 mttt -110.58 -3.49 15.92 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.084 -1.01 . . . . 0.0 109.777 -179.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -52.85 -46.2 67.73 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.227 -0.92 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.23 -37.51 85.69 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.886 . . . . 0.0 108.658 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -60.54 -40.17 90.58 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.484 -0.76 . . . . 0.0 109.417 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.564 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.3 mmt -72.0 -45.46 60.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.104 -0.997 . . . . 0.0 109.393 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.61 -27.72 49.6 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.123 -1.991 . . . . 0.0 108.123 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -95.13 -53.29 3.86 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.906 -0.761 . . . . 0.0 110.125 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -78.52 -48.38 15.39 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 110.914 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.5 m -137.43 75.41 45.34 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 120.753 -1.217 . . . . 0.0 110.994 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.01 -34.25 29.62 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.375 2.05 . . . . 0.0 111.281 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.5 t -78.83 -42.37 24.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.442 -0.786 . . . . 0.0 109.519 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.4 m -57.51 -39.8 77.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.326 -0.859 . . . . 0.0 110.52 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.564 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 59.3 m -86.48 -0.61 56.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.978 -1.076 . . . . 0.0 111.015 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.25 35.72 37.05 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 119.693 -1.241 . . . . 0.0 110.573 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.1 m-30 -104.85 -14.49 15.48 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.19 -1.182 . . . . 0.0 108.232 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 t -151.37 174.8 12.91 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -105.93 153.64 39.98 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.178 -0.951 . . . . 0.0 109.454 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo . . . . . 0 C--N 1.306 -1.667 0 C-N-CA 122.571 2.181 . . . . 0.0 112.238 179.701 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.559 ' O ' ' O ' ' A' ' 2' ' ' ASP . 81.9 m-20 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.305 0.574 . . . . 0.0 109.532 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.559 ' O ' ' O ' ' A' ' 1' ' ' ASN . 68.1 m-20 54.36 123.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.48 -0.762 . . . . 0.0 109.918 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 mm -79.49 -3.58 6.24 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.312 -0.867 . . . . 0.0 108.899 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -54.68 -28.96 51.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.266 -0.896 . . . . 0.0 109.31 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.1 4.81 3.95 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.39 -0.819 . . . . 0.0 109.59 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.31 -5.7 37.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.161 -0.962 . . . . 0.0 109.386 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.63 126.55 30.54 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.275 -0.891 . . . . 0.0 109.298 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -116.37 -0.89 12.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -0.88 . . . . 0.0 109.486 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.98 31.41 10.94 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.12 -0.988 . . . . 0.0 108.979 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -68.28 -12.67 61.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.39 -0.819 . . . . 0.0 109.825 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -100.98 119.59 38.95 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.993 -1.067 . . . . 0.0 109.354 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.0 m -117.37 143.01 46.42 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.39 152.57 49.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.003 -1.061 . . . . 0.0 110.04 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.467 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 86.9 m-20 -72.13 138.54 47.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.325 -0.859 . . . . 0.0 109.202 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.26 140.09 56.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.008 -1.057 . . . . 0.0 109.176 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -86.14 -25.25 25.85 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.305 -0.872 . . . . 0.0 109.919 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.27 -13.36 38.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.061 -1.024 . . . . 0.0 109.788 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -107.27 129.13 54.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.142 -0.974 . . . . 0.0 108.739 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -79.24 107.18 11.81 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.155 -0.966 . . . . 0.0 108.773 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.42 ' O ' ' N ' ' A' ' 24' ' ' LEU . 9.0 m -80.98 -34.95 32.66 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.755 -0.591 . . . . 0.0 109.563 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -43.99 94.18 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.181 -0.949 . . . . 0.0 108.586 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' HG3' HD22 ' A' ' 26' ' ' ASN . 16.9 ttt180 -66.05 -47.35 74.63 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.288 -0.883 . . . . 0.0 109.563 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.3 p -67.78 -34.68 77.27 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.222 -0.924 . . . . 0.0 109.237 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.489 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 27.6 tp -64.66 -50.5 66.8 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.257 -0.902 . . . . 0.0 110.091 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 36.0 ptt180 -66.41 -24.31 66.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 109.206 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.495 HD22 ' HG3' ' A' ' 22' ' ' ARG . 97.2 m-20 -78.08 -2.14 35.88 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.521 -0.737 . . . . 0.0 109.396 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.7 22.35 62.07 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.9 t0 -60.31 -38.76 84.69 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.361 -1.082 . . . . 0.0 109.391 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 22.3 m -67.41 -20.9 65.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.044 -1.035 . . . . 0.0 108.704 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -94.52 0.69 55.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.412 -0.805 . . . . 0.0 109.962 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -100.77 114.4 28.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.085 -1.009 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -57.42 -33.93 68.4 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.349 -0.844 . . . . 0.0 109.234 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -67.94 -22.96 65.02 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.458 -0.776 . . . . 0.0 109.925 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 18.2 mttm -111.13 -1.51 16.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.208 -0.933 . . . . 0.0 109.657 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.4 mt -56.87 -45.32 82.57 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.357 -0.839 . . . . 0.0 109.16 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.19 -38.03 89.2 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.439 -0.788 . . . . 0.0 109.072 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -61.92 -41.62 98.14 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.357 -0.839 . . . . 0.0 109.147 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.555 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.9 mmt -69.62 -45.24 68.97 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.177 -0.952 . . . . 0.0 109.869 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.07 -27.66 60.15 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 29.5 t80 -94.16 -49.16 5.88 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.604 -0.939 . . . . 0.0 110.102 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -82.94 -52.69 6.45 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.236 -0.915 . . . . 0.0 110.879 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 19.1 m -131.14 71.66 81.97 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 120.873 -1.142 . . . . 0.0 110.96 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.71 -34.02 42.39 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.463 2.109 . . . . 0.0 111.597 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.9 t -78.25 -42.85 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.585 -0.697 . . . . 0.0 110.054 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.467 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 63.6 m -61.31 -36.51 80.3 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -0.975 . . . . 0.0 110.925 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.555 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 58.4 m -86.56 -5.86 59.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.932 -1.105 . . . . 0.0 110.296 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.35 35.56 22.98 Favored Glycine 0 N--CA 1.493 2.463 0 C-N-CA 119.829 -1.176 . . . . 0.0 110.918 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.7 m-30 -105.65 -11.61 16.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.79 -1.418 . . . . 0.0 107.999 178.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -153.77 176.23 12.38 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.37 157.88 33.44 Favored Pre-proline 0 C--N 1.302 -1.468 0 O-C-N 121.409 -0.807 . . . . 0.0 109.521 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo . . . . . 0 C--N 1.306 -1.696 0 C-N-CA 122.608 2.205 . . . . 0.0 111.82 179.713 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.512 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 54.7 p30 -70.06 156.83 38.59 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.945 -1.097 . . . . 0.0 109.62 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.4 mm -82.7 -3.38 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.232 -0.917 . . . . 0.0 108.832 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -76.61 0.7 19.21 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.576 -0.702 . . . . 0.0 109.608 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.8 t -81.48 0.83 36.05 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.365 -0.834 . . . . 0.0 109.067 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 7' ' ' ALA . . . -78.56 -5.45 52.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.446 -0.784 . . . . 0.0 109.5 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . 48.37 -177.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.172 -0.955 . . . . 0.0 109.107 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 53.5 t0 -150.98 4.07 0.46 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.032 -1.042 . . . . 0.0 109.516 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.3 mmm 53.56 20.56 2.15 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.415 -0.803 . . . . 0.0 109.889 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -63.64 -26.92 68.9 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.236 -0.915 . . . . 0.0 109.03 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -101.05 120.97 40.98 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.328 -0.857 . . . . 0.0 109.137 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.6 m -105.75 136.42 45.4 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.539 -0.726 . . . . 0.0 109.221 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.46 151.42 49.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.273 -0.892 . . . . 0.0 109.796 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.439 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 79.1 m-20 -70.95 140.55 50.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.89 . . . . 0.0 109.296 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 135.01 57.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.035 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -82.09 -20.76 37.49 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.173 -0.954 . . . . 0.0 109.688 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -94.34 -6.48 44.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.165 -0.959 . . . . 0.0 110.421 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -108.49 129.82 55.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.106 -0.996 . . . . 0.0 109.532 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -75.82 85.25 2.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 108.966 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.3 m -69.63 -34.69 74.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.481 -0.762 . . . . 0.0 109.435 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -44.21 91.1 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.49 ' HG3' HD22 ' A' ' 26' ' ' ASN . 25.8 ttt-85 -67.95 -47.64 68.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.517 -0.739 . . . . 0.0 109.795 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.1 p -65.27 -35.16 80.19 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.199 -0.938 . . . . 0.0 109.343 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.409 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 25.1 tp -64.55 -51.7 61.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.55 -0.719 . . . . 0.0 109.918 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 23.2 ptt180 -65.65 -23.91 66.9 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.228 -0.92 . . . . 0.0 109.005 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.49 HD22 ' HG3' ' A' ' 22' ' ' ARG . 97.4 m-20 -78.21 -1.04 30.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.335 -0.853 . . . . 0.0 109.497 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.08 22.23 66.13 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -60.06 -41.25 91.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.403 -1.057 . . . . 0.0 109.696 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.409 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 32.4 m -64.25 -20.21 65.9 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.095 -1.003 . . . . 0.0 108.876 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -96.16 2.05 52.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.421 -0.799 . . . . 0.0 110.093 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.41 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 50.2 t-20 -100.31 113.74 26.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.148 -0.97 . . . . 0.0 109.187 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -55.92 -33.77 64.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.299 -0.876 . . . . 0.0 109.205 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -67.33 -23.41 65.62 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.641 -0.662 . . . . 0.0 110.469 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HG3' ' ND2' ' A' ' 31' ' ' ASN . 22.1 mttt -111.73 -1.08 15.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.174 -0.954 . . . . 0.0 109.809 -179.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.4 mt -58.48 -43.96 89.17 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.405 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.9 -40.12 91.22 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.249 -0.907 . . . . 0.0 108.918 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.73 -38.83 89.37 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.416 -0.802 . . . . 0.0 108.997 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.568 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 36.3 mmt -68.55 -47.82 65.87 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.378 -0.826 . . . . 0.0 109.801 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.79 -23.71 51.38 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -93.18 -52.17 4.68 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.853 -0.792 . . . . 0.0 110.468 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -82.15 -56.57 3.85 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.129 -0.982 . . . . 0.0 111.035 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.5 m -128.54 73.78 80.44 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 120.941 -1.099 . . . . 0.0 110.963 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.99 -32.46 53.9 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.395 2.063 . . . . 0.0 111.009 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.3 t -80.09 -44.36 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.557 -0.714 . . . . 0.0 109.708 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.439 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 61.7 m -56.54 -38.06 71.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.148 -0.97 . . . . 0.0 110.314 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.568 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 63.5 m -86.3 -5.85 59.09 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.041 -1.037 . . . . 0.0 110.443 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.29 34.95 27.94 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.26 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.487 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 18.0 m-85 -104.23 -16.72 15.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.61 -1.524 . . . . 0.0 108.006 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t -143.4 175.62 9.78 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.345 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -102.57 151.2 38.21 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.0 109.228 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo . . . . . 0 N--CA 1.495 1.596 0 C-N-CA 122.552 2.168 . . . . 0.0 112.283 -179.49 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.1 m120 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.323 0.582 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -70.63 143.79 51.34 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.377 -0.827 . . . . 0.0 109.876 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.441 HG23 HD11 ' A' ' 3' ' ' ILE . 80.0 mt -78.66 -5.03 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.21 -0.931 . . . . 0.0 109.856 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.535 ' C ' ' H ' ' A' ' 6' ' ' ALA . 78.0 mtm180 -56.38 -29.44 61.46 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.119 -0.988 . . . . 0.0 109.101 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.62 5.71 0.41 Allowed 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.408 -0.807 . . . . 0.0 109.523 -179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' H ' ' C ' ' A' ' 4' ' ' ARG . . . -68.95 -1.73 8.09 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.29 -0.881 . . . . 0.0 109.069 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.62 145.73 38.6 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.231 -0.918 . . . . 0.0 109.193 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.496 ' C ' ' OD1' ' A' ' 8' ' ' ASP . 43.6 p30 -98.4 6.04 47.61 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.451 -0.781 . . . . 0.0 108.979 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 42.43 23.29 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.425 -0.797 . . . . 0.0 109.848 179.695 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 8' ' ' ASP . 81.7 tt0 -70.02 -13.06 62.05 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.215 -0.928 . . . . 0.0 109.465 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -102.32 122.47 44.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 109.181 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.3 m -102.69 139.52 38.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.485 -0.76 . . . . 0.0 109.065 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.05 151.81 50.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.922 . . . . 0.0 109.894 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.514 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.0 m-20 -74.15 140.57 45.28 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.289 -0.882 . . . . 0.0 109.302 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 136.33 57.23 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.215 -0.928 . . . . 0.0 108.902 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -82.61 -26.69 32.03 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.271 -0.893 . . . . 0.0 109.173 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -90.45 -4.85 56.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.445 -0.784 . . . . 0.0 110.159 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -107.72 128.9 54.98 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.053 -1.029 . . . . 0.0 109.224 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -76.27 84.91 3.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.125 -0.985 . . . . 0.0 108.531 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -69.82 -35.52 74.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.4 -0.812 . . . . 0.0 109.455 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.45 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -57.08 -44.61 83.27 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.485 ' HG3' HD22 ' A' ' 26' ' ' ASN . 20.3 ttt-85 -68.01 -46.82 70.19 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.344 -0.847 . . . . 0.0 109.847 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.7 p -66.19 -34.23 77.56 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.187 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 27.9 tp -65.88 -49.58 67.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.324 -0.86 . . . . 0.0 110.592 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 27.3 ptt180 -68.02 -21.15 65.05 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.076 -1.015 . . . . 0.0 109.127 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.485 HD22 ' HG3' ' A' ' 22' ' ' ARG . 96.3 m-20 -80.4 -2.97 47.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.584 -0.698 . . . . 0.0 109.269 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.5 20.48 61.96 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 22.5 t0 -58.52 -40.26 82.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -1.116 . . . . 0.0 109.623 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.501 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 27.4 m -66.79 -18.42 65.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.129 -0.982 . . . . 0.0 108.848 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -98.05 0.63 46.56 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.427 -0.796 . . . . 0.0 110.269 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -99.08 116.2 30.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.183 -0.948 . . . . 0.0 109.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 35' ' ' LEU . 85.5 m-20 -58.02 -34.21 69.79 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.08 -1.012 . . . . 0.0 109.238 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -65.93 -24.73 66.89 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.375 -0.828 . . . . 0.0 110.033 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 40.6 mttt -110.7 -1.44 16.72 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.097 -1.002 . . . . 0.0 109.876 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 32' ' ' ASP . 12.6 mt -53.87 -45.53 71.04 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.231 -0.918 . . . . 0.0 109.455 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -66.26 -36.89 84.16 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.275 -0.891 . . . . 0.0 109.434 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.12 -40.92 97.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.193 -0.942 . . . . 0.0 109.435 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.659 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 36.9 mmt -70.14 -45.8 66.07 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.396 -0.815 . . . . 0.0 109.882 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.17 -26.95 56.94 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -94.39 -55.38 3.19 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.571 -0.958 . . . . 0.0 110.839 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -78.15 -48.82 15.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.244 -0.91 . . . . 0.0 110.787 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.3 m -132.52 72.6 77.79 Favored Pre-proline 0 N--CA 1.489 1.487 0 C-N-CA 119.196 -1.002 . . . . 0.0 110.706 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.49 -34.32 26.5 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.355 2.037 . . . . 0.0 111.204 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.9 t -79.13 -44.22 24.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.686 -0.634 . . . . 0.0 109.57 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.514 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 54.8 m -56.86 -39.43 74.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.561 -0.712 . . . . 0.0 110.724 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.659 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 76.4 m -86.09 -13.23 47.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.087 -1.008 . . . . 0.0 110.499 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.57 34.9 9.78 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.748 -1.215 . . . . 0.0 111.766 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.501 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 38.8 m-85 -102.5 -14.8 16.67 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.788 -1.419 . . . . 0.0 107.41 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t -146.14 177.07 9.26 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.28 149.6 39.96 Favored Pre-proline 0 C--N 1.302 -1.485 0 O-C-N 121.189 -0.944 . . . . 0.0 109.022 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 C--N 1.305 -1.746 0 C-N-CA 121.975 1.784 . . . . 0.0 111.992 -179.872 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -72.05 133.84 45.5 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.252 -0.905 . . . . 0.0 109.572 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.4 mm -77.72 -0.49 3.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.321 -0.862 . . . . 0.0 109.277 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -77.15 -3.09 37.71 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.102 -0.998 . . . . 0.0 109.642 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t -73.88 -0.11 14.99 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.108 -0.995 . . . . 0.0 108.841 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.45 2.82 27.05 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.341 -0.849 . . . . 0.0 109.473 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.64 141.53 9.56 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.275 -0.891 . . . . 0.0 109.731 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' A' ' 10' ' ' GLU . 84.0 m-20 -99.29 12.17 37.01 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.401 -0.812 . . . . 0.0 108.986 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.16 12.82 0.19 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.283 -0.886 . . . . 0.0 109.667 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.533 ' H ' ' C ' ' A' ' 8' ' ' ASP . 46.0 tp10 -68.52 -20.8 64.59 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.612 -0.68 . . . . 0.0 109.385 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -101.24 126.55 47.98 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.286 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.6 m -107.99 156.57 19.08 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.76 150.61 48.48 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.095 -1.003 . . . . 0.0 109.745 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.549 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.9 m-20 -66.99 134.84 52.77 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.35 -0.844 . . . . 0.0 109.111 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 138.97 55.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.207 -0.933 . . . . 0.0 109.401 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.801 ' NZ ' HD22 ' A' ' 17' ' ' ASN . 8.7 pttm -85.46 -22.26 28.34 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.364 -0.835 . . . . 0.0 109.221 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.801 HD22 ' NZ ' ' A' ' 16' ' ' LYS . 64.5 m-80 -88.88 -10.36 48.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.231 -0.918 . . . . 0.0 109.042 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -107.92 133.92 51.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.021 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -81.4 86.34 6.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.001 -1.062 . . . . 0.0 108.718 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -68.39 -36.52 79.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.203 -0.936 . . . . 0.0 109.874 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.414 ' C ' ' CD ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.28 -45.32 91.55 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.419 ' HG3' HD22 ' A' ' 26' ' ' ASN . 16.6 ttt-85 -69.32 -47.24 65.01 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.185 -0.947 . . . . 0.0 109.188 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -61.89 -37.64 85.35 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.335 -0.853 . . . . 0.0 109.597 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.489 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 40.9 tp -62.59 -49.29 75.82 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.291 -0.88 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 8.3 ptm180 -67.24 -22.73 65.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.963 -1.086 . . . . 0.0 108.872 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.419 HD22 ' HG3' ' A' ' 22' ' ' ARG . 95.7 m-20 -77.79 -1.51 31.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.504 -0.748 . . . . 0.0 109.33 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.43 22.42 64.89 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.448 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 19.8 t0 -59.19 -40.26 85.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -1.061 . . . . 0.0 109.072 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 21.2 m -67.03 -21.06 65.94 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -94.59 -0.77 54.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.409 -0.807 . . . . 0.0 110.132 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.413 HD21 ' HE3' ' A' ' 34' ' ' LYS . 59.6 t-20 -98.95 114.5 27.16 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.892 -1.13 . . . . 0.0 109.24 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -57.23 -32.28 66.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 0.0 109.029 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -68.51 -22.07 64.55 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.698 -0.626 . . . . 0.0 110.326 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.448 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 32.4 mttt -113.16 -2.11 14.2 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.089 -1.007 . . . . 0.0 109.41 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.0 mt -55.7 -44.31 77.3 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.251 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.15 -38.6 91.12 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.252 -0.905 . . . . 0.0 108.841 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -61.93 -39.0 90.55 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.323 -0.861 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.542 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.4 mmt -70.67 -48.28 55.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.485 -0.76 . . . . 0.0 109.707 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.37 -26.33 50.91 Favored Glycine 0 N--CA 1.485 1.952 0 N-CA-C 108.265 -1.934 . . . . 0.0 108.265 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -95.27 -54.39 3.43 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.49 -1.006 . . . . 0.0 110.599 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -80.93 -48.54 12.18 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.103 -0.998 . . . . 0.0 111.071 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.3 m -131.83 69.45 81.06 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 120.99 -1.069 . . . . 0.0 110.779 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' MET . 40.2 Cg_endo -67.47 -33.95 27.7 Favored 'Trans proline' 0 C--N 1.303 -1.86 0 C-N-CA 122.424 2.083 . . . . 0.0 111.668 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.0 t -78.61 -41.84 25.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.52 -0.737 . . . . 0.0 110.039 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.549 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 33.9 m -61.83 -38.25 87.49 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.251 -0.906 . . . . 0.0 110.712 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.542 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 67.4 m -85.8 0.33 53.22 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.158 -0.964 . . . . 0.0 110.636 -178.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.43 38.75 32.47 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 120.015 -1.088 . . . . 0.0 110.726 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -109.15 -12.47 14.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.181 -1.188 . . . . 0.0 108.224 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.4 m -131.49 163.35 28.18 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -103.72 113.59 65.38 Favored Pre-proline 0 C--N 1.302 -1.478 0 O-C-N 121.231 -0.918 . . . . 0.0 109.755 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo . . . . . 0 C--N 1.312 -1.368 0 C-N-CA 122.315 2.01 . . . . 0.0 112.307 179.909 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 48.3 t30 . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -82.83 131.78 35.18 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.334 -0.854 . . . . 0.0 110.024 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 84.4 mt -75.48 -2.37 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.403 -0.811 . . . . 0.0 109.396 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -75.07 2.16 11.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.215 -0.928 . . . . 0.0 109.141 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.405 ' C ' ' H ' ' A' ' 7' ' ' ALA . 1.1 t -77.55 7.15 5.9 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.416 -0.803 . . . . 0.0 108.942 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.44 -1.34 6.32 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 5' ' ' THR . . . -58.71 147.17 33.96 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.444 -0.785 . . . . 0.0 109.2 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -97.46 6.99 47.35 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.226 -0.921 . . . . 0.0 109.656 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.56 10.13 21.5 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.016 -1.052 . . . . 0.0 109.466 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -72.8 -18.33 61.48 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.467 -0.771 . . . . 0.0 109.467 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -102.64 124.88 48.99 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.321 -0.862 . . . . 0.0 109.495 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.1 m -110.13 147.26 34.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.521 -0.737 . . . . 0.0 109.314 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.38 153.22 50.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.095 -1.003 . . . . 0.0 109.699 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.603 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 50.2 p30 -75.81 138.96 41.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.039 -1.038 . . . . 0.0 108.823 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -59.78 140.91 56.19 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.034 -1.041 . . . . 0.0 109.798 -179.499 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -85.8 -25.26 26.43 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.239 -0.913 . . . . 0.0 109.376 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -86.72 -2.92 58.93 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.223 -0.923 . . . . 0.0 109.503 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.401 ' CE1' ' HE3' ' A' ' 38' ' ' MET . 46.0 t80 -113.2 132.58 55.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.452 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -79.78 84.98 5.51 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.099 -1.0 . . . . 0.0 108.783 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.2 m -71.67 -36.18 70.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.512 -0.742 . . . . 0.0 109.797 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.461 ' CD ' ' C ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.08 -48.16 82.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.287 -0.883 . . . . 0.0 108.888 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' HG3' HD22 ' A' ' 26' ' ' ASN . 10.8 ttm180 -68.26 -46.12 71.3 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.212 -0.93 . . . . 0.0 109.551 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -62.17 -35.74 79.75 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.22 -0.925 . . . . 0.0 109.073 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 41.1 tp -65.46 -47.37 76.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.466 -0.771 . . . . 0.0 110.394 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.487 HH21 ' HE ' ' A' ' 22' ' ' ARG . 40.9 ptt85 -69.68 -19.41 63.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.932 -1.105 . . . . 0.0 109.019 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.51 HD22 ' HG3' ' A' ' 22' ' ' ARG . 93.6 m-20 -82.14 -1.04 47.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.418 -0.802 . . . . 0.0 109.246 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.72 23.58 59.77 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 14.5 t0 -59.54 -40.49 87.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.229 -1.159 . . . . 0.0 109.222 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.456 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 30.3 m -65.42 -20.31 66.31 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.34 -0.85 . . . . 0.0 108.818 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -96.18 -1.12 48.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.515 -0.74 . . . . 0.0 110.135 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -98.7 114.28 26.71 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.011 -1.055 . . . . 0.0 109.057 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -56.94 -34.38 67.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 109.547 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.55 -23.21 65.4 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.514 -0.741 . . . . 0.0 109.896 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 19.5 mttt -109.8 -1.71 17.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.116 -0.99 . . . . 0.0 109.762 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.5 mt -56.4 -44.05 79.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.124 -0.985 . . . . 0.0 109.717 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.65 -40.41 92.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.124 -0.985 . . . . 0.0 109.006 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' TYR . 88.1 mt-10 -59.65 -39.56 84.83 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.352 -0.842 . . . . 0.0 109.098 -179.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.524 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.22 -46.7 63.99 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.203 -0.936 . . . . 0.0 109.73 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.59 -28.28 56.01 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 33.7 t80 -94.44 -56.81 2.68 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.778 -0.836 . . . . 0.0 110.065 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.559 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 84.4 m-85 -77.28 -42.85 35.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.0 111.298 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.505 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -139.63 71.34 37.4 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 120.504 -1.373 . . . . 0.0 111.488 -178.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.12 -34.8 27.23 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.514 2.143 . . . . 0.0 111.571 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.2 t -77.69 -43.87 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.517 -0.739 . . . . 0.0 109.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.8 m -59.4 -39.24 82.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.419 -0.801 . . . . 0.0 110.908 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 64.4 m -86.65 -0.48 56.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.994 -1.066 . . . . 0.0 110.881 -178.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.11 36.95 33.81 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.68 -1.248 . . . . 0.0 110.461 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.4 m-30 -106.75 -11.23 15.85 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.961 -1.317 . . . . 0.0 108.561 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t -154.37 175.89 12.99 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.523 -0.736 . . . . 0.0 109.421 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.518 ' OE1' ' N ' ' A' ' 50' ' ' GLU . 26.1 mp0 -103.12 151.57 38.49 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.259 -0.9 . . . . 0.0 109.459 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo . . . . . 0 C--N 1.308 -1.59 0 C-N-CA 122.743 2.295 . . . . 0.0 112.282 179.86 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.285 0.564 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -76.21 130.31 38.03 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.343 -0.848 . . . . 0.0 109.265 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 82.6 mt -71.76 0.56 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.294 -0.879 . . . . 0.0 109.941 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -79.69 0.49 30.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.948 -1.095 . . . . 0.0 109.205 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 t -79.74 -0.98 36.54 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.86 0.66 17.41 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.515 -0.741 . . . . 0.0 109.422 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.41 143.33 35.13 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.903 . . . . 0.0 109.954 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' C ' ' OD1' ' A' ' 8' ' ' ASP . 56.2 p30 -147.83 14.89 1.07 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.6 mmm 56.88 17.97 3.59 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.662 -0.649 . . . . 0.0 110.291 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 83.7 tt0 -69.4 -8.05 43.04 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -101.7 122.16 43.4 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.284 -0.885 . . . . 0.0 109.108 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.2 m -99.87 143.05 30.54 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.446 -0.784 . . . . 0.0 109.312 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.17 151.86 49.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.349 -0.844 . . . . 0.0 109.673 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.477 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 85.7 m-20 -70.27 139.51 52.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.197 -0.939 . . . . 0.0 109.408 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -61.34 141.05 57.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.077 -1.014 . . . . 0.0 109.625 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -85.48 -24.66 27.28 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.435 -0.79 . . . . 0.0 109.845 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.79 -2.92 58.84 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.272 -0.893 . . . . 0.0 109.648 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -112.97 136.0 53.12 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.441 -0.787 . . . . 0.0 109.422 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -82.73 84.98 7.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.127 -0.983 . . . . 0.0 109.193 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -69.29 -37.07 77.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.218 -0.926 . . . . 0.0 109.541 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.422 ' C ' ' CD ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -58.83 -45.62 89.58 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.485 ' HG3' HD22 ' A' ' 26' ' ' ASN . 13.4 ttt180 -70.1 -44.59 68.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.339 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.0 m -64.16 -36.64 84.72 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.346 -0.847 . . . . 0.0 109.538 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.428 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 29.4 tp -63.32 -49.05 75.48 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.143 -0.973 . . . . 0.0 110.304 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 28.5 ptt180 -68.13 -23.55 64.91 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.11 -0.994 . . . . 0.0 109.094 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.485 HD22 ' HG3' ' A' ' 22' ' ' ARG . 97.5 m-20 -77.1 -2.16 32.79 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.66 20.85 67.68 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 108.871 -1.692 . . . . 0.0 108.871 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.43 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 14.5 t0 -57.94 -39.68 78.65 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.389 -1.065 . . . . 0.0 109.195 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.428 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 34.2 m -66.31 -19.53 65.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.876 . . . . 0.0 108.684 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -98.28 2.35 48.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.481 -0.762 . . . . 0.0 110.27 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.486 HD21 ' HE3' ' A' ' 34' ' ' LYS . 55.0 t-20 -100.4 116.66 32.89 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.126 -0.983 . . . . 0.0 109.671 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -57.5 -34.82 69.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.397 -0.814 . . . . 0.0 108.938 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -66.35 -27.92 68.26 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.63 -0.668 . . . . 0.0 110.196 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HE3' HD21 ' A' ' 31' ' ' ASN . 65.4 mttt -108.37 -2.71 18.91 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.099 -1.0 . . . . 0.0 110.019 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 mt -51.79 -44.74 63.55 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.201 -0.937 . . . . 0.0 109.239 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.84 -38.35 83.07 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.195 -0.94 . . . . 0.0 109.259 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.75 -39.43 88.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.199 -0.938 . . . . 0.0 109.074 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.594 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -71.16 -47.93 54.84 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.219 -0.925 . . . . 0.0 109.852 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.51 -28.82 45.98 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.504 -1.838 . . . . 0.0 108.504 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -94.96 -56.93 2.58 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.545 -0.973 . . . . 0.0 110.321 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.543 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 69.5 m-85 -74.84 -40.29 61.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.179 -0.95 . . . . 0.0 111.249 -178.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.1 m -142.28 69.97 22.19 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 120.707 -1.246 . . . . 0.0 111.094 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -65.46 -33.45 46.76 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.595 2.197 . . . . 0.0 111.735 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.6 t -80.5 -43.85 21.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.488 -0.758 . . . . 0.0 110.34 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.477 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 41.6 m -59.46 -38.53 80.99 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.255 -0.903 . . . . 0.0 110.711 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.594 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 93.2 m -85.96 -11.5 52.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.922 -1.111 . . . . 0.0 110.613 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.53 41.01 7.51 Favored Glycine 0 N--CA 1.491 2.32 0 C-N-CA 119.734 -1.222 . . . . 0.0 111.854 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.549 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 38.1 m-85 -108.12 -15.93 14.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.829 -1.395 . . . . 0.0 108.059 177.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.8 t -142.34 176.11 9.25 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.558 ' N ' ' OE1' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -99.54 153.85 37.57 Favored Pre-proline 0 C--N 1.3 -1.545 0 O-C-N 121.277 -0.889 . . . . 0.0 109.147 179.731 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 C--N 1.307 -1.652 0 C-N-CA 122.64 2.226 . . . . 0.0 112.178 -179.856 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 49.4 t30 . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -77.94 129.78 35.74 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.26 -0.9 . . . . 0.0 109.716 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 81.5 mt -74.01 -4.52 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -0.85 . . . . 0.0 110.034 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -76.72 2.55 13.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.163 -0.961 . . . . 0.0 109.127 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 t -75.31 5.32 5.76 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.386 -0.821 . . . . 0.0 109.03 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.06 -5.34 43.61 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.507 -0.745 . . . . 0.0 109.648 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.71 144.35 56.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.245 -0.91 . . . . 0.0 109.824 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.583 ' C ' ' H ' ' A' ' 10' ' ' GLU . 47.0 p30 -112.27 13.84 20.45 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 76.6 mmm -65.8 13.79 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.63 -0.669 . . . . 0.0 110.139 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.583 ' H ' ' C ' ' A' ' 8' ' ' ASP . 87.7 tt0 -82.03 -13.45 57.35 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.209 -0.932 . . . . 0.0 108.863 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -103.93 123.43 47.14 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.339 -0.851 . . . . 0.0 109.106 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 m -110.4 157.03 20.0 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.31 149.67 48.52 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.026 -1.046 . . . . 0.0 109.571 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.516 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 51.6 p30 -65.64 142.28 58.11 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.358 -0.838 . . . . 0.0 109.399 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.36 138.18 57.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.149 -0.969 . . . . 0.0 109.393 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.821 ' NZ ' HD22 ' A' ' 17' ' ' ASN . 2.6 pttm -85.41 -21.13 28.92 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.332 -0.855 . . . . 0.0 109.241 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.821 HD22 ' NZ ' ' A' ' 16' ' ' LYS . 71.3 m-80 -90.05 -9.88 46.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.303 -0.873 . . . . 0.0 109.471 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -111.11 135.42 51.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.41 -0.806 . . . . 0.0 108.965 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -80.63 84.85 6.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.025 -1.047 . . . . 0.0 109.426 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 m -66.66 -33.34 75.43 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.354 -0.841 . . . . 0.0 109.106 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.525 HH12 ' NH1' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -61.69 -48.28 81.49 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.608 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.515 ' HG3' HD22 ' A' ' 26' ' ' ASN . 13.5 ttt180 -66.66 -46.83 74.44 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.385 -0.822 . . . . 0.0 109.858 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -63.79 -37.04 85.91 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.14 -0.975 . . . . 0.0 109.182 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 32.0 tp -63.08 -50.24 71.34 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.204 -0.935 . . . . 0.0 110.267 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.525 ' NH1' HH12 ' A' ' 21' ' ' ARG . 41.1 ptt180 -65.98 -21.94 66.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.064 -1.022 . . . . 0.0 108.818 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.515 HD22 ' HG3' ' A' ' 22' ' ' ARG . 88.0 m-20 -79.95 -2.35 43.52 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.569 -0.707 . . . . 0.0 109.248 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.41 21.29 64.87 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.414 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 10.1 t0 -58.25 -39.36 78.95 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.399 -1.06 . . . . 0.0 109.292 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.465 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 30.9 m -67.11 -21.01 65.87 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.309 -0.87 . . . . 0.0 108.668 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -95.13 -0.65 53.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.436 -0.79 . . . . 0.0 109.844 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 64.5 t-20 -96.72 115.67 27.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.091 -1.005 . . . . 0.0 108.979 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -59.16 -32.95 70.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.201 -0.937 . . . . 0.0 108.938 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 63.7 t0 -67.93 -21.99 65.08 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.552 -0.717 . . . . 0.0 110.097 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HG3' ' ND2' ' A' ' 31' ' ' ASN . 18.9 mttt -112.29 -2.13 14.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.986 -1.071 . . . . 0.0 110.051 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -54.6 -48.22 72.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.982 -1.074 . . . . 0.0 109.409 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.6 -39.27 93.43 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.351 -0.843 . . . . 0.0 108.853 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.33 -40.04 89.2 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.531 -0.73 . . . . 0.0 109.051 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.497 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.58 -45.62 65.02 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.245 -0.909 . . . . 0.0 109.6 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.07 -26.4 55.65 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 108.31 -1.916 . . . . 0.0 108.31 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -92.47 -54.01 3.97 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.713 -0.874 . . . . 0.0 110.247 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -82.32 -49.57 9.89 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 111.191 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.1 m -130.92 71.08 82.6 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.854 -1.154 . . . . 0.0 111.494 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.85 -33.02 28.01 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.574 2.183 . . . . 0.0 111.359 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.3 t -79.04 -44.82 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.334 -0.854 . . . . 0.0 109.753 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.2 m -59.4 -37.78 78.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.298 -0.876 . . . . 0.0 110.901 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 61.4 m -86.1 -4.0 59.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.917 -1.114 . . . . 0.0 110.455 -178.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.59 36.74 22.25 Favored Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.798 -1.191 . . . . 0.0 111.19 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -106.03 -12.15 15.89 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.992 -1.299 . . . . 0.0 108.158 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.4 m -130.53 166.19 21.1 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 50' ' ' GLU . 4.1 mp0 -103.34 115.22 64.19 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.132 -0.98 . . . . 0.0 109.114 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.31 -1.492 0 C-N-CA 122.388 2.059 . . . . 0.0 112.342 -179.724 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -68.34 137.56 54.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 109.642 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.4 mt -75.73 -0.93 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.347 -0.846 . . . . 0.0 109.015 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -71.66 0.71 8.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.395 -0.815 . . . . 0.0 109.483 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 t -99.65 -12.99 19.56 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.36 -0.838 . . . . 0.0 109.045 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.561 ' O ' ' O ' ' A' ' 7' ' ' ALA . . . -80.76 -1.19 41.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.367 -0.833 . . . . 0.0 109.329 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.561 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . 55.0 154.1 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.422 -0.799 . . . . 0.0 109.426 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' GLU . 88.0 m-20 -97.05 2.39 51.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.167 -0.958 . . . . 0.0 109.124 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.15 18.27 0.08 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.557 -0.714 . . . . 0.0 109.61 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' ASP . 85.2 tt0 -64.98 -32.19 73.79 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.215 -0.928 . . . . 0.0 109.106 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -103.32 120.52 40.92 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.358 -0.839 . . . . 0.0 108.951 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m -111.22 138.04 48.18 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 109.459 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.47 151.7 49.76 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.344 -0.848 . . . . 0.0 109.618 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.599 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 52.9 p30 -74.05 140.25 45.25 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.168 -0.958 . . . . 0.0 108.965 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 137.35 58.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.019 -1.051 . . . . 0.0 109.702 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -83.97 -24.36 30.67 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 109.395 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -89.54 -6.18 56.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.66 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CE2' ' OG ' ' A' ' 23' ' ' SER . 50.0 t80 -111.27 136.21 50.7 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.35 -0.844 . . . . 0.0 109.239 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -81.92 85.06 6.75 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.278 -0.889 . . . . 0.0 109.058 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.433 ' CB ' ' HG1' ' A' ' 45' ' ' THR . 24.2 m -67.08 -34.42 77.61 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.416 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -61.39 -47.89 83.73 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.527 0.679 . . . . 0.0 109.244 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HG3' HD22 ' A' ' 26' ' ' ASN . 23.4 ttt-85 -68.41 -45.54 72.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.251 -0.906 . . . . 0.0 109.348 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.416 ' OG ' ' CE2' ' A' ' 18' ' ' PHE . 51.0 m -63.06 -35.23 79.56 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.392 -0.818 . . . . 0.0 109.41 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.473 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 33.8 tp -65.8 -50.36 64.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.213 -0.929 . . . . 0.0 110.31 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 22.4 ptt180 -67.59 -21.45 65.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.165 -0.959 . . . . 0.0 109.109 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.508 HD22 ' HG3' ' A' ' 22' ' ' ARG . 97.9 m-20 -78.69 -3.2 42.94 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.41 -0.806 . . . . 0.0 108.918 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.01 21.42 61.17 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.0 t0 -58.38 -41.24 84.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -1.12 . . . . 0.0 109.59 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.473 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 30.1 m -65.01 -20.23 66.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.17 -0.956 . . . . 0.0 109.013 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.479 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 59.8 t0 -96.67 -0.61 48.16 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.439 -0.788 . . . . 0.0 110.136 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.473 HD21 ' HE3' ' A' ' 34' ' ' LYS . 57.4 t-20 -98.25 116.32 30.22 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.114 -0.991 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -58.14 -33.53 69.28 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.305 -0.872 . . . . 0.0 108.998 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -67.53 -23.17 65.41 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.625 -0.672 . . . . 0.0 109.981 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.473 ' HE3' HD21 ' A' ' 31' ' ' ASN . 74.5 mttt -113.11 1.49 15.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.067 -1.021 . . . . 0.0 109.775 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.71 -43.79 90.18 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.969 -1.082 . . . . 0.0 109.193 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.22 -38.8 88.8 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.323 -0.861 . . . . 0.0 108.705 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -60.7 -40.15 91.19 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.364 -0.835 . . . . 0.0 109.188 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.52 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.38 -47.94 58.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.412 -0.805 . . . . 0.0 109.935 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.23 -29.31 56.16 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.466 -1.854 . . . . 0.0 108.466 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 26.0 t80 -93.09 -51.55 4.99 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.542 -0.975 . . . . 0.0 110.351 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -81.1 -51.82 8.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.199 -0.938 . . . . 0.0 111.027 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.6 m -131.52 72.04 80.8 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 120.805 -1.185 . . . . 0.0 110.976 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.32 -32.77 32.05 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.61 2.207 . . . . 0.0 111.378 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.8 -44.63 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.583 -0.698 . . . . 0.0 109.732 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.433 ' HG1' ' CB ' ' A' ' 20' ' ' CYS . 44.3 m -60.15 -37.99 81.79 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.337 -0.852 . . . . 0.0 111.177 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.52 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 65.6 m -86.22 -4.43 59.17 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.871 -1.143 . . . . 0.0 110.783 -178.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.31 35.79 22.5 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.78 -1.2 . . . . 0.0 111.088 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.0 m-30 -107.25 -11.11 15.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.005 -1.291 . . . . 0.0 108.316 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 t -155.39 175.1 14.3 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.231 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -106.33 157.94 33.78 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 0.0 109.546 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo . . . . . 0 C--N 1.303 -1.848 0 C-N-CA 122.598 2.198 . . . . 0.0 112.097 179.783 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -71.91 144.41 48.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.265 -0.897 . . . . 0.0 109.18 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 71.5 mt -78.16 -4.8 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.035 . . . . 0.0 109.354 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.437 ' HG2' HH11 ' A' ' 4' ' ' ARG . 76.5 mtt-85 -72.48 -2.39 19.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 0.0 109.155 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 t -78.89 6.25 9.63 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.503 -0.748 . . . . 0.0 109.332 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.46 -3.08 25.3 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.426 -0.796 . . . . 0.0 109.57 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.59 136.08 45.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.268 -0.895 . . . . 0.0 109.987 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.631 ' O ' ' N ' ' A' ' 10' ' ' GLU . 96.8 m-20 -110.21 5.9 22.21 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.273 -0.892 . . . . 0.0 109.795 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 41.78 17.11 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.252 -0.905 . . . . 0.0 109.633 -179.581 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 8' ' ' ASP . 87.7 tt0 -70.21 -6.33 33.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.467 -0.771 . . . . 0.0 109.485 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -101.54 123.96 46.43 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.1 -1.0 . . . . 0.0 109.591 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 m -114.74 163.47 15.43 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.03 149.91 47.75 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.777 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.543 ' CG ' ' HG1' ' A' ' 45' ' ' THR . 84.4 m-20 -67.02 134.71 52.48 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.126 -0.984 . . . . 0.0 109.192 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.547 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -60.52 139.17 57.87 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.177 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -80.95 -28.23 35.76 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.885 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -87.07 -1.56 57.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.229 -0.919 . . . . 0.0 110.111 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.419 ' CE1' ' HE3' ' A' ' 38' ' ' MET . 40.1 t80 -113.32 131.56 55.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.186 -0.946 . . . . 0.0 108.858 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -80.68 85.86 5.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.251 -0.906 . . . . 0.0 108.986 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.5 m -68.99 -35.11 76.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.507 -0.746 . . . . 0.0 109.664 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.48 -47.91 84.06 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.767 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.507 ' HG3' HD22 ' A' ' 26' ' ' ASN . 6.6 ttp180 -69.4 -46.22 67.38 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.454 -0.779 . . . . 0.0 109.644 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 m -61.91 -37.11 83.39 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.265 -0.897 . . . . 0.0 109.047 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.513 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 24.8 tp -63.67 -49.48 73.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.388 -0.82 . . . . 0.0 110.41 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 43.5 ptt85 -68.5 -19.86 64.55 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.131 -0.981 . . . . 0.0 108.392 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.507 HD22 ' HG3' ' A' ' 22' ' ' ARG . 96.5 m-20 -80.2 -1.75 41.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.487 -0.758 . . . . 0.0 109.623 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.45 21.94 63.48 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.254 -1.539 . . . . 0.0 109.254 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.469 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 17.0 t0 -61.28 -41.43 96.93 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.292 -1.122 . . . . 0.0 109.632 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.513 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 41.0 m -64.56 -19.28 65.54 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.066 -1.021 . . . . 0.0 109.126 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -97.59 0.74 47.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.542 -0.724 . . . . 0.0 110.408 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -99.57 113.98 26.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.972 -1.08 . . . . 0.0 109.896 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -56.35 -32.95 65.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.329 -0.857 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -69.46 -21.83 63.68 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.45 -0.781 . . . . 0.0 110.399 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 15.8 mttt -112.51 -2.43 14.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.954 -1.091 . . . . 0.0 109.712 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.8 mt -55.73 -42.96 76.11 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.044 -1.035 . . . . 0.0 109.33 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.58 -39.15 91.29 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.081 -1.012 . . . . 0.0 108.762 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -61.74 -39.35 91.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.41 -0.806 . . . . 0.0 109.14 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.541 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.6 mmt -70.17 -44.93 67.76 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.3 -0.875 . . . . 0.0 109.904 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.3 -27.17 65.01 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.707 -1.757 . . . . 0.0 108.707 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 27.6 t80 -94.57 -52.62 4.23 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.688 -0.89 . . . . 0.0 110.097 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.547 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 66.4 m-85 -79.05 -49.99 11.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.185 -0.947 . . . . 0.0 110.813 -178.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.0 m -137.25 74.63 48.23 Favored Pre-proline 0 N--CA 1.488 1.449 0 O-C-N 120.538 -1.351 . . . . 0.0 111.173 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.6 -32.62 30.6 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.456 2.104 . . . . 0.0 111.127 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.0 t -77.97 -42.41 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.468 -0.77 . . . . 0.0 109.406 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.543 ' HG1' ' CG ' ' A' ' 14' ' ' ASP . 68.7 m -59.18 -39.44 82.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.443 -0.786 . . . . 0.0 110.463 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.541 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 62.5 m -86.43 -4.82 59.24 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.092 -1.005 . . . . 0.0 110.95 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.91 36.33 19.09 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.823 -1.18 . . . . 0.0 110.792 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.6 m-30 -106.18 -12.33 15.77 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.215 -1.168 . . . . 0.0 107.92 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -130.08 167.69 17.93 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.406 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 50' ' ' GLU . 6.9 mp0 -103.48 113.93 65.25 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.283 -0.886 . . . . 0.0 109.366 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo . . . . . 0 C--N 1.312 -1.391 0 C-N-CA 122.083 1.855 . . . . 0.0 111.751 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.6 m120 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.256 0.551 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -65.01 140.52 58.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.307 -0.871 . . . . 0.0 109.23 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 74.4 mt -75.13 1.52 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.182 -0.948 . . . . 0.0 109.626 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -78.41 3.58 15.37 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.248 -0.908 . . . . 0.0 108.972 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 t -83.44 -5.9 59.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.432 -0.793 . . . . 0.0 109.487 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.87 -5.63 59.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.188 -0.945 . . . . 0.0 109.612 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.59 144.76 51.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.193 -0.942 . . . . 0.0 110.097 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' GLU . 56.4 t0 -161.03 1.48 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.365 -0.834 . . . . 0.0 109.354 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 77.8 mmm 48.69 15.38 0.09 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.348 -0.845 . . . . 0.0 110.006 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 8' ' ' ASP . 84.4 tt0 -81.17 -14.45 57.61 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.297 -0.877 . . . . 0.0 109.364 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -103.52 123.05 46.19 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.146 -0.971 . . . . 0.0 109.621 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 m -110.07 157.34 19.44 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.16 150.88 49.24 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.941 -1.099 . . . . 0.0 109.87 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.484 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 95.3 m-20 -68.46 133.07 48.07 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.317 -0.864 . . . . 0.0 109.406 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.63 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -59.52 139.94 56.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.38 -0.825 . . . . 0.0 109.166 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.705 ' NZ ' HD22 ' A' ' 17' ' ' ASN . 1.3 pttm -86.07 -20.35 28.89 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.301 -0.875 . . . . 0.0 109.498 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.705 HD22 ' NZ ' ' A' ' 16' ' ' LYS . 67.7 m-80 -88.61 -5.17 58.33 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.907 . . . . 0.0 109.401 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.4 ' CE2' ' HE2' ' A' ' 38' ' ' MET . 43.9 t80 -115.12 134.41 55.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.324 -0.86 . . . . 0.0 109.69 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -79.41 85.26 5.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.319 -0.863 . . . . 0.0 108.903 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.6 m -68.17 -35.03 77.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.384 -0.823 . . . . 0.0 109.598 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.749 ' CZ ' HH21 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.5 -48.95 75.5 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.566 -0.709 . . . . 0.0 109.339 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' HG3' HD22 ' A' ' 26' ' ' ASN . 20.5 ttt-85 -66.13 -45.45 81.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 109.361 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -64.08 -35.83 82.03 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.453 -0.779 . . . . 0.0 109.42 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 31.3 tp -64.33 -48.14 76.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.3 -0.875 . . . . 0.0 110.158 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.749 HH21 ' CZ ' ' A' ' 21' ' ' ARG . 8.8 ptp180 -66.3 -24.21 66.51 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.039 -1.038 . . . . 0.0 108.678 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.488 HD22 ' HG3' ' A' ' 22' ' ' ARG . 88.9 m-20 -77.8 -4.51 46.83 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.624 -0.672 . . . . 0.0 109.2 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.6 20.32 62.09 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -56.55 -39.8 74.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.265 -1.138 . . . . 0.0 109.597 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 33.1 m -66.22 -21.08 66.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.156 -0.965 . . . . 0.0 108.84 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -94.89 -0.73 53.74 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.396 -0.815 . . . . 0.0 110.098 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -98.96 113.55 25.76 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.038 -1.039 . . . . 0.0 109.284 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -56.16 -34.49 66.21 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.267 -0.896 . . . . 0.0 108.905 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.32 -23.02 66.29 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.557 -0.714 . . . . 0.0 109.997 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -112.52 0.06 15.38 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.114 -0.991 . . . . 0.0 109.882 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.7 mt -57.66 -44.0 85.39 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.99 -1.068 . . . . 0.0 109.127 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.21 -38.89 91.87 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.212 -0.93 . . . . 0.0 108.731 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.22 -41.41 93.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.344 -0.847 . . . . 0.0 108.956 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.559 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.63 -46.75 62.73 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.512 -0.743 . . . . 0.0 110.168 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.56 -27.32 54.25 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 108.434 -1.866 . . . . 0.0 108.434 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 27.1 t80 -95.31 -53.35 3.8 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.775 -0.838 . . . . 0.0 110.231 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.536 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 73.1 m-85 -79.9 -45.44 18.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.394 -0.816 . . . . 0.0 111.478 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.4 m -137.49 69.21 53.74 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 120.715 -1.241 . . . . 0.0 111.051 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.07 -32.14 53.72 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.289 1.993 . . . . 0.0 111.273 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.9 t -79.95 -45.92 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.471 -0.768 . . . . 0.0 109.989 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.484 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 41.2 m -56.56 -38.47 71.98 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.12 -0.988 . . . . 0.0 110.547 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 85.6 m -86.32 -8.41 57.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.118 -0.989 . . . . 0.0 110.598 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.96 35.03 16.6 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.689 -1.244 . . . . 0.0 111.375 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -103.62 -11.09 17.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.951 -1.323 . . . . 0.0 107.8 178.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -131.2 165.84 22.45 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -101.14 124.86 40.0 Favored Pre-proline 0 C--N 1.299 -1.589 0 O-C-N 121.184 -0.947 . . . . 0.0 109.013 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo . . . . . 0 C--N 1.309 -1.534 0 C-N-CA 122.17 1.913 . . . . 0.0 111.979 -179.905 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.8 m120 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -65.08 141.63 58.66 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.221 -0.925 . . . . 0.0 109.202 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 82.0 mt -74.65 -2.93 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.198 -0.939 . . . . 0.0 109.425 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -76.84 -0.03 22.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.339 -0.851 . . . . 0.0 109.318 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 t -75.54 4.91 6.66 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.379 -0.826 . . . . 0.0 109.066 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.29 -1.74 19.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.537 -0.727 . . . . 0.0 110.169 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.86 138.39 55.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.975 -1.078 . . . . 0.0 109.467 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.572 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 66.8 t0 -112.08 8.18 19.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.298 -0.876 . . . . 0.0 109.396 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.24 21.17 0.18 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.932 . . . . 0.0 109.607 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' ASP . 83.2 tt0 -71.12 -4.14 23.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.286 -0.884 . . . . 0.0 109.141 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -106.27 122.91 47.18 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.119 -0.988 . . . . 0.0 109.722 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.9 m -106.36 147.2 29.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.361 -0.837 . . . . 0.0 109.006 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.08 149.87 47.67 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.231 -0.918 . . . . 0.0 110.227 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.519 ' OD2' ' OG1' ' A' ' 45' ' ' THR . 86.4 m-20 -70.64 140.9 51.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.249 -0.907 . . . . 0.0 108.953 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.601 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -60.79 140.24 57.67 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.207 -0.933 . . . . 0.0 109.633 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.748 ' HZ1' HD22 ' A' ' 17' ' ' ASN . 26.1 pttm -83.13 -25.96 31.44 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.391 -0.818 . . . . 0.0 110.034 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.748 HD22 ' HZ1' ' A' ' 16' ' ' LYS . 75.8 m-20 -89.05 -3.75 58.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.178 -0.951 . . . . 0.0 110.07 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -110.74 133.96 52.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.366 -0.834 . . . . 0.0 109.265 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -81.48 85.92 6.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.001 -1.062 . . . . 0.0 109.255 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.463 ' CB ' ' HG1' ' A' ' 45' ' ' THR . 33.9 m -68.05 -35.63 78.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.294 -0.879 . . . . 0.0 109.625 -179.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.6 -46.56 89.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.537 -0.727 . . . . 0.0 109.082 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.638 ' NH1' HD22 ' A' ' 26' ' ' ASN . 7.9 ttt85 -69.04 -45.34 70.66 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.245 -0.909 . . . . 0.0 109.494 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.0 m -64.62 -35.7 81.87 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.152 -0.967 . . . . 0.0 109.495 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.514 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 38.4 tp -65.21 -49.59 69.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.107 -0.996 . . . . 0.0 110.387 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' NH2' HH11 ' A' ' 22' ' ' ARG . 40.0 ptt85 -66.41 -23.81 66.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.005 -1.06 . . . . 0.0 109.052 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.638 HD22 ' NH1' ' A' ' 22' ' ' ARG . 96.3 m-20 -78.27 -1.76 34.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.456 -0.778 . . . . 0.0 109.704 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.49 20.27 64.51 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.407 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 11.9 t0 -57.83 -40.19 79.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.33 -1.1 . . . . 0.0 109.628 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.514 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 30.6 m -66.19 -21.53 66.32 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.155 -0.966 . . . . 0.0 108.617 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -96.27 0.89 51.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.495 -0.753 . . . . 0.0 109.984 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.627 ' ND2' ' HZ1' ' A' ' 34' ' ' LYS . 54.6 t-20 -98.44 115.56 28.79 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.219 -0.926 . . . . 0.0 108.864 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -59.48 -33.15 70.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.213 -0.93 . . . . 0.0 108.925 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -67.2 -25.9 66.35 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.465 -0.772 . . . . 0.0 109.641 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.627 ' HZ1' ' ND2' ' A' ' 31' ' ' ASN . 9.9 mttm -109.45 -0.45 18.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.133 -0.979 . . . . 0.0 109.585 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.0 mt -55.97 -44.67 78.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.084 -1.01 . . . . 0.0 109.268 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.14 -37.85 86.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.35 -0.844 . . . . 0.0 109.116 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 41' ' ' TYR . 94.7 mt-10 -61.34 -39.74 91.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.276 -0.89 . . . . 0.0 109.353 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.536 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.16 -47.4 61.78 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.38 -0.825 . . . . 0.0 110.203 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.29 -28.06 54.09 Favored Glycine 0 N--CA 1.487 2.083 0 N-CA-C 108.181 -1.968 . . . . 0.0 108.181 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 30.1 t80 -95.29 -53.97 3.58 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.602 -0.94 . . . . 0.0 110.697 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.528 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 70.4 m-85 -78.73 -46.55 18.71 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.251 -0.906 . . . . 0.0 110.749 -178.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.483 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.8 m -135.09 71.62 68.4 Favored Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 120.875 -1.141 . . . . 0.0 111.225 -178.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.31 -34.15 28.07 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.395 2.064 . . . . 0.0 111.637 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.1 t -79.95 -43.45 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.452 -0.78 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.519 ' OG1' ' OD2' ' A' ' 14' ' ' ASP . 33.8 m -59.3 -39.24 82.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.092 -1.005 . . . . 0.0 110.385 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.557 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 69.5 m -85.6 -10.65 55.55 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.992 -1.068 . . . . 0.0 110.127 -179.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.71 37.96 11.18 Favored Glycine 0 N--CA 1.494 2.504 0 O-C-N 120.92 -1.113 . . . . 0.0 112.132 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.557 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 35.7 m-85 -104.3 -14.96 15.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.684 -1.48 . . . . 0.0 107.445 177.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -146.02 176.47 9.68 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.38 157.8 33.01 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.349 -0.844 . . . . 0.0 109.239 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo . . . . . 0 C--N 1.306 -1.684 0 C-N-CA 122.497 2.132 . . . . 0.0 112.014 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.336 0.588 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -66.53 141.07 58.0 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.963 . . . . 0.0 109.748 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 87.8 mt -78.67 -4.57 6.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.352 -0.842 . . . . 0.0 109.674 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -76.23 2.12 14.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.122 -0.986 . . . . 0.0 109.447 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 t -85.57 -2.86 58.6 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.533 -0.729 . . . . 0.0 109.078 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.574 ' O ' ' O ' ' A' ' 7' ' ' ALA . . . -79.69 -10.59 59.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.366 -0.834 . . . . 0.0 109.82 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.574 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . 54.39 124.62 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.244 -0.91 . . . . 0.0 110.264 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -104.29 2.75 31.85 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.155 -0.966 . . . . 0.0 109.175 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.89 20.41 0.35 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.385 -0.822 . . . . 0.0 109.668 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -66.83 -25.42 66.43 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.608 -0.683 . . . . 0.0 109.583 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -102.57 121.48 42.46 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.245 -0.909 . . . . 0.0 109.771 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.1 m -103.28 142.14 34.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.554 -0.716 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.55 148.96 46.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.147 -0.971 . . . . 0.0 109.854 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.49 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 82.2 m-20 -71.61 137.52 48.01 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.192 -0.942 . . . . 0.0 108.953 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.623 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -61.31 138.75 58.24 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.824 -179.803 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HZ3' HD22 ' A' ' 17' ' ' ASN . 24.9 pttm -84.16 -24.14 30.32 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.528 -0.733 . . . . 0.0 109.8 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.51 HD22 ' HZ3' ' A' ' 16' ' ' LYS . 71.0 m-80 -86.86 -6.6 58.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.16 -0.963 . . . . 0.0 110.091 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CE1' ' HE1' ' A' ' 38' ' ' MET . 48.5 t80 -111.24 134.18 53.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.252 -0.905 . . . . 0.0 109.58 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -79.79 86.67 5.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.956 -1.09 . . . . 0.0 108.609 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.78 -33.72 68.83 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.451 -0.781 . . . . 0.0 109.84 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.427 ' C ' ' CD ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -62.66 -49.86 73.48 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.349 -0.844 . . . . 0.0 108.85 -179.825 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HG3' HD22 ' A' ' 26' ' ' ASN . 19.4 ttt-85 -66.94 -44.42 80.67 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.201 -0.937 . . . . 0.0 109.567 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.8 m -63.18 -36.21 82.88 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.237 -0.914 . . . . 0.0 109.565 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' CD2' ' C ' ' A' ' 24' ' ' LEU . 5.1 tt -63.6 -50.17 70.44 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.911 -1.118 . . . . 0.0 110.193 -179.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 44.5 ptt85 -66.67 -23.81 66.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.885 -1.134 . . . . 0.0 108.796 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.489 HD22 ' HG3' ' A' ' 22' ' ' ARG . 97.7 m-20 -75.16 -2.9 29.89 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.54 -0.725 . . . . 0.0 109.254 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.03 13.52 74.36 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -56.5 -40.72 75.45 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.994 -1.298 . . . . 0.0 109.16 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 54.2 m -67.99 -22.01 65.03 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -96.72 2.64 52.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.578 -0.701 . . . . 0.0 110.195 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.428 HD21 ' HE3' ' A' ' 34' ' ' LYS . 55.5 t-20 -100.34 112.12 24.44 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.044 -1.035 . . . . 0.0 108.951 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -55.89 -34.13 65.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.312 -0.867 . . . . 0.0 109.491 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -65.89 -25.39 67.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.458 -0.776 . . . . 0.0 109.766 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HE3' HD21 ' A' ' 31' ' ' ASN . 26.3 mttt -109.9 -0.74 18.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.277 -0.889 . . . . 0.0 109.929 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.7 mt -56.69 -45.99 81.46 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.109 -0.994 . . . . 0.0 109.366 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.0 tt -65.16 -39.49 93.02 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.046 -1.034 . . . . 0.0 108.495 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.99 -39.84 91.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.342 -0.849 . . . . 0.0 109.291 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.542 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.3 mmt -70.43 -45.43 65.89 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.977 -1.077 . . . . 0.0 109.422 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.52 -25.59 42.69 Favored Glycine 0 N--CA 1.484 1.875 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 21.6 t80 -94.65 -53.6 3.82 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.579 -0.954 . . . . 0.0 110.318 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.536 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 63.9 m-85 -80.33 -47.21 14.84 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.0 -1.062 . . . . 0.0 111.25 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 m -134.18 71.05 73.34 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 120.837 -1.165 . . . . 0.0 111.204 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.32 -35.15 24.98 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.448 2.099 . . . . 0.0 111.946 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -77.83 -43.98 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.191 -0.943 . . . . 0.0 109.835 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.49 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 65.5 m -59.92 -37.79 80.47 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.392 -0.818 . . . . 0.0 110.897 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.542 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 97.3 m -86.57 0.05 55.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.893 -1.129 . . . . 0.0 110.621 -178.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.97 35.72 38.2 Favored Glycine 0 N--CA 1.495 2.59 0 C-N-CA 119.852 -1.166 . . . . 0.0 111.748 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 12.2 m-30 -108.12 -12.83 15.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.953 -1.322 . . . . 0.0 108.322 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.4 t -151.99 172.54 16.1 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.397 -0.814 . . . . 0.0 109.497 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.564 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.1 mp0 -101.35 155.06 36.8 Favored Pre-proline 0 C--N 1.3 -1.561 0 O-C-N 121.609 -0.682 . . . . 0.0 109.541 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo . . . . . 0 C--N 1.305 -1.754 0 C-N-CA 122.516 2.144 . . . . 0.0 111.591 179.634 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.554 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 58.5 p30 -74.76 144.12 43.76 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.197 -0.94 . . . . 0.0 109.554 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.2 mt -78.63 -1.71 4.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.345 -0.847 . . . . 0.0 109.307 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -79.08 1.14 25.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.122 -0.986 . . . . 0.0 108.906 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 t -77.68 0.59 22.82 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.331 -0.856 . . . . 0.0 108.903 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.81 28.05 5.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.438 -0.789 . . . . 0.0 109.524 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.7 141.57 37.56 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.151 -0.968 . . . . 0.0 109.549 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.575 ' C ' ' H ' ' A' ' 10' ' ' GLU . 89.4 m-20 -109.83 14.44 23.19 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 68.5 mmm -65.97 14.66 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.253 -0.904 . . . . 0.0 110.389 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.575 ' H ' ' C ' ' A' ' 8' ' ' ASP . 84.5 tt0 -74.6 -24.45 58.88 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.218 -0.993 . . . . 0.0 109.484 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -102.26 122.5 44.33 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.197 -0.939 . . . . 0.0 109.165 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.2 m -89.32 134.35 34.1 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.404 -0.81 . . . . 0.0 109.117 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.55 149.87 48.33 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.283 -0.886 . . . . 0.0 109.946 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.482 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.5 m-20 -70.74 140.02 51.25 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.22 -0.925 . . . . 0.0 109.293 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.61 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -61.33 139.14 58.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.266 -0.896 . . . . 0.0 109.446 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.674 ' NZ ' HD22 ' A' ' 17' ' ' ASN . 18.2 pttm -84.52 -25.62 28.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -0.827 . . . . 0.0 110.056 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.674 HD22 ' NZ ' ' A' ' 16' ' ' LYS . 79.5 m-20 -91.37 1.01 57.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 110.052 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -113.79 131.26 56.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.192 -0.943 . . . . 0.0 109.568 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -79.88 85.74 5.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.164 -0.96 . . . . 0.0 108.845 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.7 m -70.12 -34.62 73.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.429 -0.795 . . . . 0.0 109.757 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.18 -42.9 87.08 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.521 ' HG3' HD22 ' A' ' 26' ' ' ASN . 15.0 ttt-85 -68.17 -47.22 68.58 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.499 -0.751 . . . . 0.0 109.424 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 78.5 p -67.39 -34.79 78.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.449 -0.782 . . . . 0.0 108.973 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 28.1 tp -66.39 -48.7 69.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.29 -0.881 . . . . 0.0 110.384 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -69.53 -23.17 63.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.258 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.521 HD22 ' HG3' ' A' ' 22' ' ' ARG . 96.0 m-20 -79.83 -1.37 38.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.481 -0.762 . . . . 0.0 109.39 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.52 23.43 58.37 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.855 -1.698 . . . . 0.0 108.855 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 23' ' ' SER . 16.4 t0 -60.96 -38.65 86.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.415 -1.05 . . . . 0.0 109.578 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.453 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 22.8 m -67.32 -18.72 65.29 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.213 -0.929 . . . . 0.0 108.599 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -96.79 1.6 50.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.573 -0.704 . . . . 0.0 110.033 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.405 HD21 ' HE3' ' A' ' 34' ' ' LYS . 55.8 t-20 -101.94 115.06 29.73 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.084 -1.01 . . . . 0.0 109.84 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -56.31 -34.03 66.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.462 -0.774 . . . . 0.0 109.092 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -67.48 -24.05 65.55 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.644 -0.66 . . . . 0.0 109.781 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HE3' HD21 ' A' ' 31' ' ' ASN . 36.8 mttt -112.3 -0.4 15.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.182 -0.949 . . . . 0.0 109.908 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.0 -44.29 78.51 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.086 -1.009 . . . . 0.0 109.26 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.7 -38.76 90.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.405 -0.809 . . . . 0.0 109.155 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -61.25 -39.73 91.43 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.475 -0.766 . . . . 0.0 109.189 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.541 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -71.41 -47.01 58.72 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.525 -0.734 . . . . 0.0 109.741 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.29 -28.55 50.44 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 108.341 -1.904 . . . . 0.0 108.341 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -94.93 -56.12 2.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.796 -0.826 . . . . 0.0 110.834 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.556 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 68.2 m-85 -76.23 -43.95 39.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 110.784 -178.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.457 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.3 m -140.45 72.76 30.98 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 120.685 -1.259 . . . . 0.0 110.974 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -66.9 -33.54 32.86 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 122.381 2.054 . . . . 0.0 111.406 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.3 t -80.25 -43.12 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.472 -0.767 . . . . 0.0 109.5 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.482 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 54.1 m -58.01 -38.82 76.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.263 -0.898 . . . . 0.0 110.605 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.541 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.4 m -86.83 -8.77 57.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.053 -1.029 . . . . 0.0 110.658 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.3 34.79 13.36 Favored Glycine 0 N--CA 1.493 2.453 0 C-N-CA 119.77 -1.205 . . . . 0.0 112.313 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 34.0 m-85 -102.97 -14.85 16.32 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.558 -1.554 . . . . 0.0 107.562 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -149.88 176.03 11.11 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -105.12 160.17 26.9 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 109.67 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 N--CA 1.493 1.482 0 C-N-CA 122.72 2.28 . . . . 0.0 112.089 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.3 0.571 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -65.08 147.84 52.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.226 -0.921 . . . . 0.0 109.409 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 70.9 mt -73.64 -2.98 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.125 -0.984 . . . . 0.0 109.474 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -78.26 7.34 6.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.199 -0.938 . . . . 0.0 109.263 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -74.82 2.58 9.84 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.281 -0.887 . . . . 0.0 109.515 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.63 1.58 11.86 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.344 -0.848 . . . . 0.0 109.604 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.94 142.44 53.73 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.124 -0.985 . . . . 0.0 109.702 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.642 ' C ' ' H ' ' A' ' 10' ' ' GLU . 50.2 p30 -106.9 15.52 25.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.881 . . . . 0.0 109.054 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.4 mmm -65.19 14.19 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.414 -0.804 . . . . 0.0 109.828 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.642 ' H ' ' C ' ' A' ' 8' ' ' ASP . 51.4 tp10 -77.92 -17.55 57.13 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.495 -0.753 . . . . 0.0 109.378 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -100.06 124.55 45.55 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.165 -0.96 . . . . 0.0 109.032 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 m -110.32 155.23 22.38 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.56 151.49 49.44 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.163 -0.961 . . . . 0.0 109.872 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.489 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 87.0 m-20 -69.18 138.72 54.34 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 109.184 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.591 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -62.19 138.49 58.42 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.233 -0.917 . . . . 0.0 109.472 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HE2' HD22 ' A' ' 17' ' ' ASN . 3.3 pttm -82.41 -29.22 30.91 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.211 -0.93 . . . . 0.0 109.623 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.401 HD22 ' HE2' ' A' ' 16' ' ' LYS . 79.2 m-20 -86.47 -1.71 57.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.337 -0.852 . . . . 0.0 109.613 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -113.54 129.86 56.47 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.269 -0.894 . . . . 0.0 109.932 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -80.41 85.02 5.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 0.0 109.083 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.8 m -67.6 -35.8 79.67 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.646 0.736 . . . . 0.0 109.266 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.727 ' NH1' ' NH1' ' A' ' 25' ' ' ARG . 1.2 tmt_? -57.04 -42.19 80.04 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HG3' HD22 ' A' ' 26' ' ' ASN . 11.5 ttt180 -69.4 -47.18 64.99 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.493 -0.754 . . . . 0.0 109.646 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 79.4 p -66.45 -34.57 78.24 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.176 -0.952 . . . . 0.0 109.444 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 38.3 tp -67.63 -48.09 67.72 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.172 -0.955 . . . . 0.0 110.49 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.727 ' NH1' ' NH1' ' A' ' 21' ' ' ARG . 41.2 ptt180 -68.47 -22.79 64.55 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 108.992 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.447 HD22 ' HG3' ' A' ' 22' ' ' ARG . 96.2 m-20 -80.8 -0.67 39.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.437 -0.789 . . . . 0.0 109.286 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.02 23.4 63.78 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 23' ' ' SER . 13.8 t0 -60.06 -40.14 88.44 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.367 -1.078 . . . . 0.0 109.58 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.458 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 28.8 m -64.46 -19.96 65.88 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -95.98 -3.51 44.91 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.385 -0.822 . . . . 0.0 110.063 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -94.66 116.12 28.37 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.983 -1.073 . . . . 0.0 109.354 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -57.57 -33.69 68.42 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.327 -0.858 . . . . 0.0 109.119 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.94 -27.19 67.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.478 -0.764 . . . . 0.0 109.957 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -107.63 -0.82 21.69 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.227 -0.921 . . . . 0.0 109.48 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.3 mt -53.84 -47.98 70.41 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.482 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -65.17 -38.55 90.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.219 -0.926 . . . . 0.0 109.176 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -58.87 -40.5 84.53 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.365 -0.834 . . . . 0.0 109.483 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.576 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.1 mmt -70.28 -47.05 62.99 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.37 -0.831 . . . . 0.0 110.057 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.51 -28.25 50.59 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 40.7 t80 -94.75 -55.49 3.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.642 -0.917 . . . . 0.0 110.576 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.591 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 61.4 m-85 -76.03 -44.28 40.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.326 -0.859 . . . . 0.0 111.337 -178.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.6 m -139.89 69.73 36.23 Favored Pre-proline 0 C--N 1.3 -1.559 0 O-C-N 120.682 -1.261 . . . . 0.0 111.084 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.24 -33.09 61.22 Favored 'Trans proline' 0 C--N 1.301 -1.937 0 C-N-CA 122.465 2.11 . . . . 0.0 111.958 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.8 t -81.01 -42.61 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.142 -0.974 . . . . 0.0 109.973 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.489 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 62.4 m -59.51 -37.71 79.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.245 -0.909 . . . . 0.0 110.791 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.576 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.9 m -86.06 -9.76 56.17 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.878 -1.139 . . . . 0.0 110.74 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.09 35.0 10.09 Favored Glycine 0 N--CA 1.492 2.401 0 C-N-CA 119.638 -1.268 . . . . 0.0 111.891 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.494 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 46.0 m-85 -102.89 -16.19 15.96 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.668 -1.489 . . . . 0.0 107.527 178.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.11 165.65 18.48 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.05 123.1 44.72 Favored Pre-proline 0 C--N 1.301 -1.504 0 O-C-N 121.333 -0.855 . . . . 0.0 108.756 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 C--N 1.311 -1.404 0 C-N-CA 122.172 1.915 . . . . 0.0 112.208 -179.534 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 61.7 t30 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -70.25 140.48 52.4 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.245 -0.91 . . . . 0.0 109.491 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.4 mt -75.41 1.28 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.303 -0.873 . . . . 0.0 109.469 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -72.96 -1.14 15.86 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.322 -0.861 . . . . 0.0 108.863 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 t -90.56 -2.78 57.89 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.299 -0.876 . . . . 0.0 109.712 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.51 ' O ' ' O ' ' A' ' 7' ' ' ALA . . . -101.14 24.46 9.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.373 179.594 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.51 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . 48.83 -179.89 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.181 -0.949 . . . . 0.0 108.891 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -103.01 10.99 37.87 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.313 -0.867 . . . . 0.0 109.061 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.95 11.98 29.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.39 -0.819 . . . . 0.0 109.634 -179.774 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.46 -25.43 64.09 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.59 -0.694 . . . . 0.0 109.475 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -103.61 121.85 43.77 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.333 -0.854 . . . . 0.0 109.697 -179.198 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.1 m -110.74 139.69 45.81 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.9 148.38 47.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.083 -1.01 . . . . 0.0 110.132 -179.668 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.572 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.6 p30 -72.54 137.44 46.25 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.277 -0.889 . . . . 0.0 108.629 178.874 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -61.51 140.63 58.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.21 -0.931 . . . . 0.0 109.868 -179.05 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -87.76 -29.07 21.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.324 -0.86 . . . . 0.0 109.492 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -82.87 -4.93 58.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -110.94 133.75 53.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.832 . . . . 0.0 108.938 179.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -79.5 84.8 5.33 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.029 -1.045 . . . . 0.0 108.502 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -70.82 -36.15 72.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.373 -0.829 . . . . 0.0 109.292 -179.473 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.478 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.24 -46.21 90.55 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.435 -0.791 . . . . 0.0 108.97 179.758 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.702 ' HE ' HH21 ' A' ' 25' ' ' ARG . 11.5 ttm180 -69.69 -45.93 67.19 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.056 -1.028 . . . . 0.0 109.497 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -61.9 -36.09 80.28 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.33 -0.857 . . . . 0.0 109.277 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.502 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 35.9 tp -64.4 -50.35 67.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 0.0 110.408 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.702 HH21 ' HE ' ' A' ' 22' ' ' ARG . 27.1 ptt180 -67.32 -21.14 65.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.142 -0.974 . . . . 0.0 109.167 -179.597 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.512 HD22 ' HG3' ' A' ' 22' ' ' ARG . 96.7 m-20 -79.01 -2.7 41.49 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.508 -0.745 . . . . 0.0 109.295 179.498 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.7 21.09 62.36 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 14.8 t0 -59.77 -40.4 88.09 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.225 -1.162 . . . . 0.0 109.796 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.502 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 28.8 m -66.39 -21.49 66.23 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.08 -1.013 . . . . 0.0 108.563 179.397 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.7 -0.51 54.27 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.352 -0.843 . . . . 0.0 109.846 -179.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -97.43 113.56 25.26 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.978 -1.076 . . . . 0.0 108.726 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -57.4 -34.15 68.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.269 -0.894 . . . . 0.0 109.173 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -66.72 -25.36 66.49 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.386 -0.821 . . . . 0.0 109.763 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 62.5 mttt -109.1 0.28 19.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.052 -1.03 . . . . 0.0 109.592 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.01 -45.14 83.25 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.136 -0.978 . . . . 0.0 109.346 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.36 -39.38 92.26 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 0.0 108.811 178.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -59.67 -39.59 84.97 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.322 -0.861 . . . . 0.0 109.18 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.579 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -70.71 -45.27 65.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.475 -0.766 . . . . 0.0 110.106 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.77 -28.66 60.59 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 179.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -93.81 -54.25 3.69 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.889 -0.771 . . . . 0.0 110.471 -179.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.59 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 63.9 m-85 -77.53 -48.86 15.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.128 -0.982 . . . . 0.0 110.957 -179.1 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.4 m -136.32 73.52 56.74 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 120.69 -1.256 . . . . 0.0 111.107 -178.827 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.1 -35.85 23.85 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.575 2.183 . . . . 0.0 111.647 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.18 -42.85 37.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.47 0.652 . . . . 0.0 109.495 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.453 ' HG1' ' HB3' ' A' ' 42' ' ' CYS . 32.1 m -59.39 -39.27 82.85 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.324 -0.86 . . . . 0.0 110.601 -179.269 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.579 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 75.6 m -86.9 -1.27 57.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.217 -0.927 . . . . 0.0 110.482 -178.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.15 36.13 36.17 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.906 178.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.1 m-30 -105.14 -12.61 16.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.976 -1.309 . . . . 0.0 108.027 178.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 t -154.41 175.02 14.08 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.321 179.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -110.26 151.39 42.57 Favored Pre-proline 0 N--CA 1.488 1.438 0 O-C-N 121.374 -0.828 . . . . 0.0 109.117 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo . . . . . 0 C--N 1.308 -1.564 0 C-N-CA 122.292 1.995 . . . . 0.0 111.999 179.994 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.51 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 53.6 p30 -71.87 154.06 41.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 109.758 -179.792 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 33.0 mm -80.67 -4.91 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.412 -0.805 . . . . 0.0 109.384 179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -76.88 0.96 18.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.197 -0.939 . . . . 0.0 109.606 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 t -76.67 1.18 17.76 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.335 -0.853 . . . . 0.0 109.441 -179.661 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.75 -5.88 56.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.371 -0.831 . . . . 0.0 109.488 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.23 142.34 52.38 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.315 -0.866 . . . . 0.0 109.719 -179.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -106.95 10.5 30.45 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.07 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 62.3 mmm -86.76 15.01 6.17 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.569 -0.707 . . . . 0.0 110.081 -179.182 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -70.47 -20.68 62.86 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.303 -0.873 . . . . 0.0 109.68 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -98.72 121.69 41.0 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.293 -0.879 . . . . 0.0 108.933 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.4 m -112.17 142.73 44.28 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.474 -0.766 . . . . 0.0 109.199 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.61 150.26 48.45 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.304 -0.872 . . . . 0.0 109.393 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.56 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.8 p30 -74.11 151.95 40.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.267 -0.896 . . . . 0.0 108.809 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.3 132.2 46.06 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.018 -1.051 . . . . 0.0 110.018 -179.484 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' NZ ' HD22 ' A' ' 17' ' ' ASN . 25.9 pttm -79.85 -23.81 41.72 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.261 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.443 HD22 ' NZ ' ' A' ' 16' ' ' LYS . 79.5 m-20 -90.41 -9.9 45.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.59 -0.694 . . . . 0.0 110.058 -179.398 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -108.6 129.97 55.31 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 179.269 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -76.48 84.97 3.2 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.137 -0.977 . . . . 0.0 109.452 -179.68 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.4 m -67.86 -34.46 76.74 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -45.25 88.53 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.391 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.461 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 15.1 ttt-85 -66.31 -46.06 78.22 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.407 -0.808 . . . . 0.0 109.697 179.432 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.3 p -68.22 -34.1 75.63 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.186 -0.946 . . . . 0.0 109.532 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 27.7 tp -66.09 -49.7 66.66 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.2 -0.937 . . . . 0.0 110.536 -179.559 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -67.09 -20.74 65.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.111 -0.993 . . . . 0.0 109.287 -179.444 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 22' ' ' ARG . 96.3 m-20 -82.27 -2.3 52.17 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.537 -0.727 . . . . 0.0 109.337 179.724 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.48 21.49 62.08 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.422 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.0 t0 -57.73 -39.63 77.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.294 -1.121 . . . . 0.0 109.384 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 33.6 m -64.47 -21.58 66.71 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.23 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -96.86 -1.13 46.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.657 -0.652 . . . . 0.0 110.098 -179.441 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.422 HD21 ' HE2' ' A' ' 34' ' ' LYS . 57.0 t-20 -95.84 114.1 25.79 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.094 -1.004 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -56.64 -34.3 67.17 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.192 -0.942 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.476 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 66.5 t0 -67.22 -22.4 65.71 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.44 -0.788 . . . . 0.0 110.01 -179.555 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.422 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 13.2 mttm -112.96 -1.05 14.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.151 -0.968 . . . . 0.0 109.816 -179.286 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.09 -45.83 71.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.079 -1.013 . . . . 0.0 109.433 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.05 -37.22 83.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.255 -0.903 . . . . 0.0 109.324 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.19 -39.45 92.78 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.192 -0.943 . . . . 0.0 109.28 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.53 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.99 -48.81 51.17 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.44 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.61 -28.03 44.24 Favored Glycine 0 N--CA 1.482 1.76 0 N-CA-C 108.391 -1.884 . . . . 0.0 108.391 179.475 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -94.51 -56.04 2.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.62 -0.929 . . . . 0.0 110.399 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -77.67 -45.21 25.61 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.099 -1.001 . . . . 0.0 110.917 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.466 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.1 m -134.56 71.14 71.61 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 120.854 -1.154 . . . . 0.0 111.442 -178.681 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.08 -33.29 32.22 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.378 2.052 . . . . 0.0 111.435 178.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.33 -45.48 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.374 -0.829 . . . . 0.0 110.101 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.0 m -57.84 -38.71 76.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.232 -0.918 . . . . 0.0 110.457 -179.005 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 65.1 m -86.04 -11.53 52.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.942 -1.098 . . . . 0.0 110.469 -179.085 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.71 35.97 10.98 Favored Glycine 0 N--CA 1.494 2.524 0 C-N-CA 119.807 -1.187 . . . . 0.0 112.098 178.198 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.521 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 47.7 m-85 -102.31 -14.93 16.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.626 -1.514 . . . . 0.0 107.696 177.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 t -144.25 175.46 10.07 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -100.84 156.96 34.55 Favored Pre-proline 0 C--N 1.299 -1.589 0 O-C-N 121.366 -0.834 . . . . 0.0 109.181 -179.92 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo . . . . . 0 C--N 1.308 -1.593 0 C-N-CA 122.539 2.16 . . . . 0.0 111.789 179.745 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.237 0.541 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -69.76 147.85 49.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 0.0 109.313 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 3' ' ' ILE . 86.3 mt -76.64 2.91 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.154 -0.966 . . . . 0.0 109.611 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -75.92 -0.94 23.16 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.335 -0.853 . . . . 0.0 109.182 -179.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -86.18 2.54 46.52 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.266 -0.896 . . . . 0.0 109.193 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.2 -10.21 59.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.285 -0.884 . . . . 0.0 109.579 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.64 138.77 58.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.336 -0.853 . . . . 0.0 109.39 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 10' ' ' GLU . 80.8 m-20 -110.04 9.72 24.17 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.185 -0.947 . . . . 0.0 109.327 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 49.95 17.84 0.32 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.331 -0.856 . . . . 0.0 109.577 -179.719 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 85.1 tt0 -73.62 -6.7 48.33 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.174 -0.953 . . . . 0.0 108.747 179.36 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -103.15 126.64 50.41 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.734 -179.352 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.8 m -107.2 153.43 22.69 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.301 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.61 150.98 47.85 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.124 -0.985 . . . . 0.0 109.964 -179.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.493 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 78.5 m-20 -72.51 138.44 46.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.129 -0.982 . . . . 0.0 109.06 179.514 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.553 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -57.2 139.54 52.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.938 . . . . 0.0 109.318 -179.85 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -85.71 -25.61 26.39 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.446 -0.784 . . . . 0.0 109.619 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -88.95 -2.74 58.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.298 -0.876 . . . . 0.0 109.614 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -113.09 129.03 56.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -0.886 . . . . 0.0 109.403 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 25.7 p30 -77.96 84.95 4.22 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.229 -0.919 . . . . 0.0 109.056 179.361 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.424 ' CB ' ' HG1' ' A' ' 45' ' ' THR . 22.7 m -68.0 -33.57 74.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.294 -0.879 . . . . 0.0 109.47 -179.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.435 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.92 -43.68 91.17 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.394 -0.816 . . . . 0.0 108.863 -179.84 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.677 ' CZ ' HH21 ' A' ' 25' ' ' ARG . 14.6 ttm-85 -68.78 -47.48 66.06 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.367 -0.833 . . . . 0.0 109.417 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.4 ' HG ' ' N ' ' A' ' 24' ' ' LEU . 63.6 p -64.85 -36.03 83.04 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.381 -0.824 . . . . 0.0 109.211 179.863 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 28.5 tp -63.9 -50.48 68.55 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 110.238 -179.851 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.677 HH21 ' CZ ' ' A' ' 22' ' ' ARG . 47.1 ptt85 -67.63 -21.94 65.36 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.061 -1.024 . . . . 0.0 109.074 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.498 HD22 ' HG3' ' A' ' 22' ' ' ARG . 97.3 m-20 -79.86 -2.57 44.13 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.456 -0.778 . . . . 0.0 109.265 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.09 21.16 61.47 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.5 t0 -58.69 -38.92 79.28 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.166 -1.196 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.438 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 48.6 m -66.35 -18.24 65.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.147 -0.971 . . . . 0.0 108.774 179.311 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -98.92 -1.39 40.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.372 -0.83 . . . . 0.0 110.019 -179.612 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.456 HD21 ' HE3' ' A' ' 34' ' ' LYS . 53.2 t-20 -96.9 113.84 25.42 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.231 -0.918 . . . . 0.0 109.133 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -56.41 -33.56 65.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.216 -0.928 . . . . 0.0 109.6 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -66.99 -24.59 66.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.24 -0.913 . . . . 0.0 110.125 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HE3' HD21 ' A' ' 31' ' ' ASN . 42.0 mttt -109.07 -5.57 15.97 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.138 -0.976 . . . . 0.0 109.779 -178.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.37 -46.35 66.14 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.278 -0.889 . . . . 0.0 109.199 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -66.66 -40.25 88.54 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.289 -0.882 . . . . 0.0 109.256 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.75 -38.33 84.8 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.336 -0.852 . . . . 0.0 109.285 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.53 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.4 mmt -70.87 -46.32 62.85 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.297 -0.877 . . . . 0.0 109.834 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.87 -23.39 45.18 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 107.567 -2.213 . . . . 0.0 107.567 179.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 34.1 t80 -95.06 -57.22 2.49 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.935 -0.744 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.553 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 65.8 m-85 -78.67 -45.01 22.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.298 -0.876 . . . . 0.0 111.281 -178.778 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.3 m -136.82 74.33 51.68 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 120.72 -1.238 . . . . 0.0 110.845 -178.765 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.15 -35.07 20.5 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.394 2.063 . . . . 0.0 111.54 179.299 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.42 ' HB ' ' OD1' ' A' ' 14' ' ' ASP . 87.2 t -78.47 -43.98 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 109.122 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.493 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 52.9 m -54.81 -40.95 70.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.335 -0.853 . . . . 0.0 110.309 -179.544 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.2 m -87.03 -1.86 58.2 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.121 -0.987 . . . . 0.0 110.564 -178.894 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.4 34.78 39.32 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.042 178.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.5 m-30 -103.73 -10.5 18.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.936 -1.332 . . . . 0.0 107.943 178.54 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.421 ' SG ' ' OE2' ' A' ' 50' ' ' GLU . 4.8 t -153.18 176.25 12.14 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.261 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.467 ' O ' ' OXT' ' A' ' 51' ' ' PRO . 1.4 pm0 -107.42 151.89 41.1 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.331 -0.856 . . . . 0.0 109.425 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.467 ' OXT' ' O ' ' A' ' 50' ' ' GLU . 36.1 Cg_exo . . . . . 0 C--N 1.306 -1.659 0 C-N-CA 122.298 1.998 . . . . 0.0 112.089 179.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -69.06 141.36 54.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.314 -0.866 . . . . 0.0 109.59 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 76.1 mt -75.96 -1.8 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 0.0 109.665 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -80.59 4.51 18.29 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.064 -1.023 . . . . 0.0 108.834 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.8 t -81.07 -0.06 38.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.389 -0.819 . . . . 0.0 109.598 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.08 -26.37 67.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.18 -0.95 . . . . 0.0 109.478 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.42 147.55 53.23 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.349 -0.844 . . . . 0.0 109.489 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -89.06 8.62 28.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.185 -0.947 . . . . 0.0 108.565 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.49 17.51 1.08 Allowed 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.4 0.619 . . . . 0.0 109.671 -179.387 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -65.61 -16.95 64.21 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.461 -0.775 . . . . 0.0 109.075 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -100.06 118.77 37.13 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.299 -0.876 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.8 m -108.52 147.05 32.29 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.11 152.8 50.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.061 -1.024 . . . . 0.0 109.372 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.586 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.2 p30 -76.09 141.91 41.87 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.149 -0.97 . . . . 0.0 108.903 179.363 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -64.0 137.75 58.14 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.231 -0.918 . . . . 0.0 109.897 -179.23 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HZ3' ' CG ' ' A' ' 17' ' ' ASN . 19.1 pttp -84.15 -30.72 25.64 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.397 -0.815 . . . . 0.0 109.665 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.454 ' CG ' ' HZ3' ' A' ' 16' ' ' LYS . 76.2 m-20 -83.19 -5.26 59.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 0.0 109.918 -179.501 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -112.2 131.96 55.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.447 -0.783 . . . . 0.0 109.122 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -80.96 87.93 5.95 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.347 -0.846 . . . . 0.0 109.433 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.8 m -70.29 -37.93 74.93 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.207 -0.933 . . . . 0.0 109.621 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -55.22 -42.36 73.25 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.73 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.652 HH11 ' NH2' ' A' ' 25' ' ' ARG . 13.1 ttt85 -69.67 -47.71 62.34 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.546 -0.721 . . . . 0.0 109.562 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 82.9 p -65.89 -34.02 77.18 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.413 -0.804 . . . . 0.0 109.367 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 22.0 tp -66.99 -50.42 62.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.344 -0.847 . . . . 0.0 110.246 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.652 ' NH2' HH11 ' A' ' 22' ' ' ARG . 34.3 ptt85 -66.33 -24.64 66.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.131 -0.981 . . . . 0.0 108.994 -179.731 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.501 HD22 ' NH1' ' A' ' 22' ' ' ARG . 97.2 m-20 -78.59 -2.79 40.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.434 -0.791 . . . . 0.0 109.829 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.61 21.4 60.02 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 23' ' ' SER . 17.5 t0 -60.16 -39.91 88.05 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.341 -1.094 . . . . 0.0 109.618 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.471 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 38.6 m -65.22 -19.63 66.06 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.139 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -97.95 -2.89 39.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.462 -0.774 . . . . 0.0 110.226 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -95.07 115.55 27.57 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.169 -0.957 . . . . 0.0 108.853 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -58.37 -31.71 67.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.836 . . . . 0.0 109.543 -179.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.3 -22.64 62.81 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.461 -0.774 . . . . 0.0 110.365 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 24.4 mttt -110.66 1.05 17.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.078 -1.014 . . . . 0.0 109.634 -179.571 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.1 mt -58.57 -42.7 88.57 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.262 -0.899 . . . . 0.0 109.085 179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.2 -40.62 94.42 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.26 -0.9 . . . . 0.0 108.777 179.121 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' TYR . 88.4 mt-10 -61.16 -41.32 96.56 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.513 -0.742 . . . . 0.0 109.077 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.585 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -67.78 -47.34 69.43 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.341 -0.849 . . . . 0.0 110.177 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.66 -27.1 60.96 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.604 -1.799 . . . . 0.0 108.604 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 34.1 t80 -94.74 -53.1 3.99 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.87 -0.782 . . . . 0.0 110.177 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.581 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 67.5 m-85 -79.34 -46.46 17.63 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.396 -0.815 . . . . 0.0 110.931 -179.104 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -137.96 72.1 47.95 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 120.669 -1.269 . . . . 0.0 111.335 -178.784 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.73 -34.2 41.53 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.346 2.031 . . . . 0.0 111.291 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.3 t -78.37 -43.11 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.434 -0.791 . . . . 0.0 109.93 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.7 m -59.19 -39.62 83.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.505 -0.747 . . . . 0.0 110.723 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.585 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 68.5 m -86.88 -4.43 59.18 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.071 -1.018 . . . . 0.0 110.485 -178.61 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.93 34.88 29.34 Favored Glycine 0 N--CA 1.49 2.265 0 C-N-CA 119.701 -1.238 . . . . 0.0 111.089 178.477 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -104.39 -9.73 18.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.811 -1.405 . . . . 0.0 107.937 178.487 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.8 t -153.62 176.74 11.73 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -104.11 155.97 36.4 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.413 -0.805 . . . . 0.0 109.72 -179.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo . . . . . 0 C--N 1.307 -1.635 0 C-N-CA 122.842 2.361 . . . . 0.0 111.925 179.444 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -68.64 137.08 53.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.284 -0.885 . . . . 0.0 109.444 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.4 mt -73.63 1.72 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.398 -0.814 . . . . 0.0 109.155 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -75.83 1.83 13.93 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.008 -1.057 . . . . 0.0 109.418 -179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 t -92.56 -3.3 55.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.215 -0.928 . . . . 0.0 109.368 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 7' ' ' ALA . . . -77.59 -8.9 58.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.143 -0.973 . . . . 0.0 109.284 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . 44.58 -166.09 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.094 -1.004 . . . . 0.0 109.296 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -114.58 11.72 17.09 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.335 -0.853 . . . . 0.0 108.73 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.0 mmm -89.64 14.1 12.49 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.434 -0.791 . . . . 0.0 109.643 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -69.53 -27.76 65.45 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.25 -0.906 . . . . 0.0 109.243 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -104.97 119.54 39.27 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.377 -0.827 . . . . 0.0 109.288 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.4 m -100.52 136.86 39.74 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.03 149.05 47.2 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.094 -1.004 . . . . 0.0 110.452 -179.353 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.501 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 86.2 m-20 -70.86 135.6 48.15 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.116 -0.99 . . . . 0.0 109.398 179.21 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.659 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -59.49 139.45 57.11 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.208 -0.932 . . . . 0.0 109.634 -179.761 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -88.13 -25.18 23.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.378 -0.826 . . . . 0.0 110.279 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -86.85 -4.93 59.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.98 -1.075 . . . . 0.0 109.405 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -114.74 130.27 56.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.461 -0.775 . . . . 0.0 109.442 179.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -77.39 85.82 3.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.265 -0.897 . . . . 0.0 109.639 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.1 m -67.23 -35.14 78.96 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 109.2 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.463 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -57.68 -41.14 81.01 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.555 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.491 ' HG3' HD22 ' A' ' 26' ' ' ASN . 12.8 ttm-85 -70.74 -47.56 59.04 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.348 -0.845 . . . . 0.0 109.609 179.384 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.7 p -66.15 -34.86 79.01 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.264 -0.897 . . . . 0.0 109.539 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.2 tp -64.94 -47.93 75.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.226 -0.921 . . . . 0.0 110.295 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 23.8 ptt180 -69.8 -22.9 63.28 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.22 -0.925 . . . . 0.0 109.22 -179.625 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.491 HD22 ' HG3' ' A' ' 22' ' ' ARG . 95.8 m-20 -78.5 -2.17 37.36 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.535 -0.728 . . . . 0.0 109.078 179.557 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.54 21.33 62.24 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 10.8 t0 -59.32 -39.92 84.63 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.363 -1.081 . . . . 0.0 109.886 -179.617 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.448 ' SG ' HD12 ' A' ' 24' ' ' LEU . 35.4 m -65.64 -20.58 66.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.115 -0.991 . . . . 0.0 108.438 179.423 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -94.17 1.11 56.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.574 -0.704 . . . . 0.0 110.16 -179.306 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.427 HD21 ' HE3' ' A' ' 34' ' ' LYS . 49.3 t-20 -102.81 115.53 30.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.039 -1.038 . . . . 0.0 109.37 -179.817 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -57.02 -34.84 68.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.211 -0.931 . . . . 0.0 109.316 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -66.25 -23.18 66.37 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.627 -0.671 . . . . 0.0 109.994 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 26.4 mttt -110.99 -2.28 16.01 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.96 . . . . 0.0 109.387 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.9 mt -56.99 -44.78 83.06 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.119 179.585 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.75 -39.05 90.68 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.172 -0.955 . . . . 0.0 108.65 178.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -61.08 -40.8 95.05 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.425 -0.797 . . . . 0.0 108.887 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.564 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.2 mmt -70.94 -45.78 63.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.25 -0.906 . . . . 0.0 110.102 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.4 -27.89 48.97 Favored Glycine 0 N--CA 1.485 1.96 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 179.332 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.488 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 17.2 t80 -95.38 -54.14 3.51 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.749 -0.853 . . . . 0.0 110.362 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.659 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 68.5 m-85 -77.96 -44.61 26.29 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.245 -0.909 . . . . 0.0 111.179 -178.699 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -140.55 72.27 30.74 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 120.621 -1.299 . . . . 0.0 111.08 -179.307 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.15 -33.56 30.89 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.465 2.11 . . . . 0.0 111.718 179.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.7 t -79.35 -42.92 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 109.571 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.501 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 55.2 m -58.11 -38.22 76.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.385 -0.822 . . . . 0.0 110.635 -179.726 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.564 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.2 m -86.42 -6.02 59.02 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.085 -1.009 . . . . 0.0 110.679 -178.617 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.26 35.18 24.29 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 119.607 -1.283 . . . . 0.0 110.841 178.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.1 m-30 -105.57 -14.29 15.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.042 -1.269 . . . . 0.0 108.051 178.769 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t -150.02 174.87 12.25 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.49 155.06 37.92 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.318 -0.863 . . . . 0.0 109.444 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo . . . . . 0 C--N 1.306 -1.673 0 C-N-CA 122.631 2.22 . . . . 0.0 112.197 -179.834 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -72.85 146.63 46.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.224 -0.922 . . . . 0.0 109.547 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.42 HD13 HG21 ' A' ' 3' ' ' ILE . 86.8 mt -78.82 -1.08 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.18 -0.95 . . . . 0.0 109.502 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -75.86 2.4 12.47 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.255 -0.903 . . . . 0.0 109.054 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t -85.26 1.13 49.59 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.377 -0.827 . . . . 0.0 109.516 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.82 -7.06 54.75 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.319 -0.863 . . . . 0.0 109.363 179.669 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.56 135.94 57.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 0.0 109.406 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -119.79 10.89 11.75 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.441 -0.787 . . . . 0.0 108.952 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.6 mmm -87.53 10.89 16.31 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.81 -179.136 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -72.24 -22.38 61.25 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.333 -0.854 . . . . 0.0 108.967 179.57 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -104.46 120.21 40.74 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.323 -0.861 . . . . 0.0 109.727 -179.6 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.6 m -94.5 136.21 35.05 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.555 -0.716 . . . . 0.0 109.175 179.529 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.57 151.52 49.47 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.31 -0.869 . . . . 0.0 109.968 179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.57 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 47.3 p30 -72.85 140.63 47.73 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.488 -0.757 . . . . 0.0 109.221 179.296 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.627 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -66.38 141.11 58.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.136 -0.978 . . . . 0.0 109.446 -179.702 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -89.32 -23.35 22.28 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.355 -0.841 . . . . 0.0 109.928 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -85.24 -7.53 58.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.108 -0.995 . . . . 0.0 109.413 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -111.35 136.52 50.35 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.547 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -81.2 85.13 6.41 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.211 -0.93 . . . . 0.0 108.655 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.3 m -68.74 -34.82 76.24 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.349 -0.844 . . . . 0.0 109.408 -179.376 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.43 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -61.57 -46.67 88.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.503 -0.748 . . . . 0.0 109.028 179.729 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.514 ' HG3' HD22 ' A' ' 26' ' ' ASN . 13.2 ttt-85 -68.87 -44.5 73.17 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.301 -0.874 . . . . 0.0 108.951 179.495 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -64.73 -36.92 85.85 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.398 -0.814 . . . . 0.0 109.396 179.453 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 30.4 tp -64.38 -50.94 65.71 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.275 -0.89 . . . . 0.0 110.5 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 37.7 ptt180 -66.79 -22.97 66.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.937 -1.102 . . . . 0.0 108.971 -179.785 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.514 HD22 ' HG3' ' A' ' 22' ' ' ARG . 98.1 m-20 -77.59 -2.76 37.39 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.285 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.82 21.57 65.74 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.429 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.9 t0 -57.21 -39.3 75.15 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.246 -1.15 . . . . 0.0 109.43 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 32.4 m -66.95 -20.32 65.87 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.511 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -93.68 1.46 56.58 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.44 -0.787 . . . . 0.0 110.084 -179.186 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.498 HD21 ' HE3' ' A' ' 34' ' ' LYS . 40.2 t-20 -102.98 117.24 34.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -0.936 . . . . 0.0 109.369 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.2 -32.43 69.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.955 . . . . 0.0 109.187 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -66.34 -24.81 66.58 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.555 -0.716 . . . . 0.0 109.417 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HE3' HD21 ' A' ' 31' ' ' ASN . 75.0 mttt -111.51 -1.26 15.91 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.326 -0.859 . . . . 0.0 109.734 -179.558 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.8 mt -57.67 -48.67 78.87 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.386 -0.925 . . . . 0.0 109.771 -179.7 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.16 -38.42 90.52 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.209 -0.932 . . . . 0.0 108.615 179.239 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.36 -39.3 86.7 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.517 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 36.1 mmt -69.41 -46.64 66.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.352 -0.842 . . . . 0.0 109.88 179.504 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.75 -27.16 55.2 Favored Glycine 0 N--CA 1.487 2.076 0 N-CA-C 108.501 -1.839 . . . . 0.0 108.501 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.438 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 30.2 t80 -93.38 -51.9 4.76 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.715 -0.874 . . . . 0.0 110.35 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.584 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 46.1 m-85 -79.56 -50.26 10.98 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.138 -0.976 . . . . 0.0 111.039 -178.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 m -135.55 74.86 58.74 Favored Pre-proline 0 C--N 1.302 -1.47 0 O-C-N 120.727 -1.233 . . . . 0.0 110.767 -179.02 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.57 -34.84 31.65 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.331 2.02 . . . . 0.0 111.279 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.5 t -78.21 -44.29 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.506 -0.746 . . . . 0.0 109.186 179.64 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.5 m -55.07 -40.16 70.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.475 -0.766 . . . . 0.0 110.683 -179.44 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.517 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 63.9 m -86.39 -3.18 58.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.141 -0.974 . . . . 0.0 110.787 -178.68 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.47 34.97 34.27 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 119.691 -1.242 . . . . 0.0 110.813 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 18.0 m-30 -103.57 -14.85 16.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.937 -1.331 . . . . 0.0 107.904 178.573 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 t -150.31 174.11 13.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.353 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -104.11 156.25 35.99 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.111 -0.993 . . . . 0.0 109.681 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 N--CA 1.494 1.552 0 C-N-CA 123.081 2.52 . . . . 0.0 112.867 -179.817 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.459 ' N ' HD21 ' A' ' 1' ' ' ASN . 2.4 m120 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.305 0.574 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.578 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 53.0 p30 -68.94 145.51 53.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.867 . . . . 0.0 109.912 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 86.4 mt -76.69 -0.54 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.255 -0.903 . . . . 0.0 109.111 179.661 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -79.02 1.11 25.09 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.218 -0.927 . . . . 0.0 109.156 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 t -82.38 -3.97 56.49 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.365 -0.834 . . . . 0.0 109.67 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.41 -10.66 58.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.89 . . . . 0.0 110.14 -179.573 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.0 128.24 35.09 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.925 -1.11 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.449 ' C ' ' OD1' ' A' ' 8' ' ' ASP . 59.0 p30 -108.67 14.02 24.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.08 -1.013 . . . . 0.0 109.1 179.577 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 59.1 mmm -84.37 14.55 4.32 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.278 -0.889 . . . . 0.0 110.076 -179.063 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -71.59 -28.38 63.78 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.469 179.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -104.8 120.93 42.57 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.186 -0.946 . . . . 0.0 109.288 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.1 m -107.81 135.69 48.8 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.41 151.41 49.49 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 0.0 109.715 -179.748 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.453 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 82.6 m-20 -71.08 135.06 47.52 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.157 -0.965 . . . . 0.0 108.607 179.075 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.603 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -57.45 137.99 55.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.124 -0.985 . . . . 0.0 109.451 -179.464 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -81.53 -30.59 33.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.388 -0.82 . . . . 0.0 109.872 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -86.97 0.35 55.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.936 . . . . 0.0 109.878 -179.474 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -112.09 133.91 53.95 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.148 -0.97 . . . . 0.0 109.227 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -80.6 84.39 6.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.967 -1.083 . . . . 0.0 108.229 179.612 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.3 m -70.24 -35.03 73.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.459 -0.776 . . . . 0.0 109.256 -179.311 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.416 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 1.1 tmt_? -61.16 -46.72 89.35 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.373 -0.829 . . . . 0.0 108.879 179.859 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.535 ' HG3' HD22 ' A' ' 26' ' ' ASN . 7.9 ttt180 -67.76 -47.15 70.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.285 -0.885 . . . . 0.0 109.479 179.404 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -61.89 -36.25 80.73 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.401 -0.812 . . . . 0.0 109.498 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 27.7 tp -63.52 -48.91 75.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.098 -1.001 . . . . 0.0 110.002 -179.801 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 14.9 ptm180 -68.39 -25.02 64.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.135 -0.978 . . . . 0.0 109.287 -179.81 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.535 HD22 ' HG3' ' A' ' 22' ' ' ARG . 95.7 m-20 -74.6 -2.54 26.47 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.421 -0.8 . . . . 0.0 109.366 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 21.81 64.07 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.692 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.87 -42.17 93.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.235 -1.156 . . . . 0.0 109.688 -179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.414 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 37.9 m -64.98 -18.31 65.17 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.312 -0.867 . . . . 0.0 108.837 179.767 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -96.78 1.36 50.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 110.209 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.485 HD21 ' HE3' ' A' ' 34' ' ' LYS . 51.6 t-20 -100.81 115.51 30.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.152 -0.968 . . . . 0.0 109.576 -179.555 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -57.02 -33.82 67.57 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.324 -0.86 . . . . 0.0 109.308 179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 63.8 t0 -68.07 -24.81 65.1 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.554 -0.716 . . . . 0.0 110.285 -179.801 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HE3' HD21 ' A' ' 31' ' ' ASN . 52.2 mttt -109.81 -2.08 17.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.092 -1.005 . . . . 0.0 109.436 -179.402 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.54 -47.54 76.18 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.063 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.24 -40.41 95.95 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.217 -0.927 . . . . 0.0 108.686 178.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -58.02 -41.63 83.56 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.279 -0.888 . . . . 0.0 108.836 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.618 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -68.24 -47.42 67.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.383 -0.823 . . . . 0.0 110.21 -179.624 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.62 -27.79 55.38 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 179.618 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 36.1 t80 -94.38 -51.49 4.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.65 -0.912 . . . . 0.0 110.198 -179.647 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.573 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 64.2 m-85 -80.37 -46.56 15.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.449 -0.782 . . . . 0.0 110.966 -178.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.9 m -139.2 72.3 39.1 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 120.663 -1.273 . . . . 0.0 110.931 -179.283 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -66.04 -33.44 41.34 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.671 2.248 . . . . 0.0 111.558 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -78.7 -42.04 24.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.344 -0.847 . . . . 0.0 109.26 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.453 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 48.0 m -58.36 -39.17 78.82 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.57 -0.706 . . . . 0.0 110.757 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.618 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 69.3 m -87.1 -2.84 58.93 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.168 -0.957 . . . . 0.0 110.529 -178.314 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.16 37.08 29.51 Favored Glycine 0 N--CA 1.491 2.303 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.816 178.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.5 m-30 -106.68 -12.91 15.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.981 -1.305 . . . . 0.0 108.094 178.822 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.1 t -152.19 175.7 12.33 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.438 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -102.15 155.18 36.79 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.265 -0.897 . . . . 0.0 109.412 -179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo . . . . . 0 C--N 1.307 -1.607 0 C-N-CA 122.524 2.149 . . . . 0.0 112.434 -179.761 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -66.16 138.58 57.81 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.397 -0.814 . . . . 0.0 109.764 -179.681 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 78.0 mt -75.38 -5.69 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.48 -0.763 . . . . 0.0 109.689 -179.837 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -59.52 -31.85 69.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.076 -1.015 . . . . 0.0 109.631 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.546 ' O ' ' C ' ' A' ' 6' ' ' ALA . 7.8 t -55.98 -35.0 66.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.353 -0.842 . . . . 0.0 109.547 -179.815 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.546 ' C ' ' O ' ' A' ' 5' ' ' THR . . . 33.21 51.35 0.29 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.344 -0.848 . . . . 0.0 109.664 -179.878 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.66 140.65 57.39 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.343 -0.848 . . . . 0.0 109.679 -179.721 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' GLU . 56.5 t0 -162.5 0.8 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.295 -0.878 . . . . 0.0 109.126 179.744 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 44.69 21.81 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.454 -0.779 . . . . 0.0 109.837 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' ASP . 84.6 tt0 -68.91 -25.66 64.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.173 -0.955 . . . . 0.0 109.419 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -103.19 118.13 36.1 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.181 -0.949 . . . . 0.0 109.309 -179.828 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.8 m -116.25 136.87 52.63 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.447 -0.783 . . . . 0.0 109.23 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.2 152.83 50.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.423 -0.798 . . . . 0.0 109.774 -179.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -72.81 133.18 44.36 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.315 -0.866 . . . . 0.0 109.189 179.329 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.55 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -60.02 141.61 55.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 0.0 109.482 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.626 ' HZ1' ' ND2' ' A' ' 17' ' ' ASN . 17.8 pttm -88.02 -23.44 23.79 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.46 -0.775 . . . . 0.0 109.854 -179.905 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.626 ' ND2' ' HZ1' ' A' ' 16' ' ' LYS . 72.0 m-80 -86.74 -6.46 58.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.042 -1.036 . . . . 0.0 109.634 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -115.15 134.32 55.26 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.274 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -82.48 106.12 14.09 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.815 -1.178 . . . . 0.0 108.984 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.4 m -80.15 -39.87 28.49 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.505 -0.747 . . . . 0.0 109.732 -179.595 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -43.69 94.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.286 -0.884 . . . . 0.0 109.207 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.471 ' HG3' HD22 ' A' ' 26' ' ' ASN . 9.4 ttp180 -67.55 -47.55 69.53 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.266 -0.896 . . . . 0.0 109.55 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 m -65.07 -37.11 86.48 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.438 -0.789 . . . . 0.0 109.079 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 29.1 tp -64.76 -48.4 74.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.317 -0.865 . . . . 0.0 110.537 -179.837 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 24.9 ptt180 -67.92 -22.3 65.07 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.942 -1.099 . . . . 0.0 108.906 -179.741 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.471 HD22 ' HG3' ' A' ' 22' ' ' ARG . 95.7 m-20 -81.16 -1.13 43.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.52 -0.738 . . . . 0.0 109.442 179.394 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 22.27 63.61 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.431 ' C ' ' OD1' ' A' ' 28' ' ' ASP . 21.8 t0 -59.16 -40.53 85.87 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.22 -1.165 . . . . 0.0 109.451 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.453 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 29.9 m -64.44 -19.63 65.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.066 -1.021 . . . . 0.0 108.49 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -96.88 -1.11 46.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.448 -0.783 . . . . 0.0 110.052 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.408 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 47.5 t-20 -98.22 114.0 26.11 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.971 -1.081 . . . . 0.0 109.39 -179.595 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -56.94 -33.73 67.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.358 -0.839 . . . . 0.0 109.022 -179.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -67.38 -23.7 65.61 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.701 -0.625 . . . . 0.0 110.05 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HG3' ' ND2' ' A' ' 31' ' ' ASN . 28.3 mttt -112.46 -0.54 15.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.116 -0.99 . . . . 0.0 109.971 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.9 mt -55.66 -46.25 77.54 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 108.76 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.05 -37.35 87.28 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.25 -41.22 96.54 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.157 -0.965 . . . . 0.0 108.936 179.662 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.591 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.08 -45.84 66.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.302 -0.874 . . . . 0.0 109.586 179.628 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.12 -28.93 59.06 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 21.2 t80 -94.87 -52.16 4.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.598 -0.942 . . . . 0.0 110.355 -179.77 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.55 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 67.7 m-85 -79.78 -48.98 12.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.135 -0.978 . . . . 0.0 111.25 -178.651 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' MET . 25.5 m -135.33 70.37 68.07 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 120.694 -1.254 . . . . 0.0 110.938 -178.581 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.53 -34.09 43.82 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.76 2.307 . . . . 0.0 111.703 179.117 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -77.02 -42.92 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.389 -0.819 . . . . 0.0 109.916 -179.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.3 m -61.36 -37.04 81.94 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.247 -0.908 . . . . 0.0 110.983 -179.373 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 58.3 m -86.31 -0.41 55.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.988 -1.07 . . . . 0.0 110.614 -178.48 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.21 35.12 39.03 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.701 -1.237 . . . . 0.0 110.497 178.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.8 m-30 -106.36 -13.0 15.49 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.113 -1.228 . . . . 0.0 108.084 178.853 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 t -154.37 173.56 16.04 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.632 -0.667 . . . . 0.0 109.502 179.362 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -105.41 156.17 36.77 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 121.482 -0.761 . . . . 0.0 109.307 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 C--N 1.307 -1.623 0 C-N-CA 122.834 2.356 . . . . 0.0 112.161 179.949 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -68.66 141.82 55.25 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.16 -0.962 . . . . 0.0 109.466 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.3 mm -76.54 -1.17 3.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.194 -0.942 . . . . 0.0 109.381 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -77.77 3.34 14.42 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.217 -0.927 . . . . 0.0 109.576 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 t -82.62 -1.32 50.6 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.272 -0.893 . . . . 0.0 109.166 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.03 -24.32 65.99 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.306 -0.871 . . . . 0.0 109.309 179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.33 146.87 46.6 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.0 109.436 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -108.56 10.76 27.07 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 179.232 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.7 mmm -90.07 12.52 17.49 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.569 -0.707 . . . . 0.0 110.26 -179.034 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -70.79 -24.81 62.64 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.42 -0.8 . . . . 0.0 109.749 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -100.31 123.37 44.45 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.203 -0.936 . . . . 0.0 109.554 -179.481 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 m -114.43 157.99 22.16 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.03 151.48 49.92 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.96 -1.088 . . . . 0.0 109.657 -179.644 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.586 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 55.5 p30 -69.25 138.96 54.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.185 -0.947 . . . . 0.0 109.836 -179.677 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.606 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -66.15 140.14 58.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.925 . . . . 0.0 109.37 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -85.21 -24.23 27.94 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.345 -0.847 . . . . 0.0 109.779 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -89.19 -1.96 58.3 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.228 -0.92 . . . . 0.0 109.725 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -113.17 132.06 55.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.132 -0.98 . . . . 0.0 109.104 179.792 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -79.22 84.71 5.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.082 -1.011 . . . . 0.0 108.654 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 m -70.6 -35.92 73.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.359 -0.838 . . . . 0.0 109.52 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.479 ' CD ' ' C ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.97 -47.57 85.26 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.428 -0.795 . . . . 0.0 108.88 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.506 ' HG3' HD22 ' A' ' 26' ' ' ASN . 12.6 ttt85 -69.8 -43.63 71.72 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.3 -0.875 . . . . 0.0 109.377 179.551 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.3 m -64.72 -37.26 86.99 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.398 -0.814 . . . . 0.0 109.29 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 31.3 tp -63.81 -49.11 74.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.295 -0.878 . . . . 0.0 110.393 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 24.9 ptt180 -68.54 -17.97 64.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.132 -0.98 . . . . 0.0 109.064 -179.564 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.506 HD22 ' HG3' ' A' ' 22' ' ' ARG . 96.5 m-20 -83.36 -2.3 55.41 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.437 -0.789 . . . . 0.0 109.207 179.658 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.22 22.45 60.77 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 -179.394 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.421 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 16.3 t0 -59.52 -39.27 83.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.254 -1.145 . . . . 0.0 109.089 179.887 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 27.5 m -66.95 -20.3 65.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.228 -0.92 . . . . 0.0 108.659 179.339 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -96.29 -0.94 48.94 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.419 -0.801 . . . . 0.0 110.203 -179.451 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -97.61 116.76 30.44 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.001 -1.062 . . . . 0.0 109.245 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.55 -33.26 69.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.461 -0.774 . . . . 0.0 109.001 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -66.38 -27.79 68.13 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.579 -0.701 . . . . 0.0 109.933 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 23.5 mttt -108.43 -1.5 19.82 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.185 -0.947 . . . . 0.0 109.831 -178.763 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.6 mt -55.17 -46.78 75.79 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.23 -0.919 . . . . 0.0 109.449 -179.75 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.34 -38.83 92.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 108.917 179.153 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.77 -40.67 88.98 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.251 -0.906 . . . . 0.0 109.073 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.54 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -69.32 -44.52 71.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.434 -0.791 . . . . 0.0 110.397 -179.68 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.38 -27.85 63.81 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 28.4 t80 -94.96 -55.67 3.01 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.661 -0.905 . . . . 0.0 110.702 -179.581 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.562 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 69.9 m-85 -76.39 -48.36 20.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.933 . . . . 0.0 111.295 -178.738 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.488 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.8 m -135.99 70.08 63.79 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 120.717 -1.239 . . . . 0.0 111.088 -178.855 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' MET . 35.8 Cg_endo -66.71 -32.29 38.02 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.303 2.002 . . . . 0.0 111.585 179.355 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.9 t -79.58 -43.62 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.507 -0.746 . . . . 0.0 109.54 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.5 m -59.79 -37.32 78.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.307 -0.871 . . . . 0.0 110.608 -179.425 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.54 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 57.5 m -85.57 -9.13 57.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.003 -1.06 . . . . 0.0 110.265 -178.635 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.82 38.09 9.75 Favored Glycine 0 N--CA 1.491 2.335 0 C-N-CA 119.736 -1.221 . . . . 0.0 112.002 177.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.478 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 36.4 m-85 -105.78 -18.64 14.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.711 -1.464 . . . . 0.0 107.739 177.915 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 m -124.91 164.16 20.69 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.51 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -99.74 127.86 32.77 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.958 . . . . 0.0 108.886 179.597 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 C--N 1.309 -1.508 0 C-N-CA 122.054 1.836 . . . . 0.0 112.067 -179.619 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.55 ' O ' ' O ' ' A' ' 2' ' ' ASP . 22.5 t-20 . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.55 ' O ' ' O ' ' A' ' 1' ' ' ASN . 53.4 m-20 56.43 125.16 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.388 -0.82 . . . . 0.0 109.538 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.0 mm -77.49 -3.81 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.123 -0.985 . . . . 0.0 108.956 179.741 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -74.78 -0.8 19.47 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.38 -0.825 . . . . 0.0 108.799 179.397 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 t -85.48 -4.55 59.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.404 -0.81 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.7 -7.19 57.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -0.806 . . . . 0.0 109.402 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.01 145.37 56.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.292 -0.88 . . . . 0.0 109.466 179.753 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -112.09 12.73 20.58 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.321 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.3 mmm -85.05 20.62 1.84 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.646 -0.659 . . . . 0.0 110.454 -179.186 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -67.27 -30.79 70.76 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.121 -0.987 . . . . 0.0 109.371 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -104.32 114.92 29.49 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.279 -0.888 . . . . 0.0 109.621 -179.53 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.479 ' O ' ' OXT' ' A' ' 51' ' ' PRO . 75.9 m -113.11 137.91 50.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.412 -0.805 . . . . 0.0 109.276 179.729 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.55 149.15 47.95 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.285 -0.885 . . . . 0.0 109.976 -179.647 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.585 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 52.1 p30 -76.04 141.97 41.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.105 -0.997 . . . . 0.0 109.001 179.046 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.96 136.27 57.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.944 -1.097 . . . . 0.0 109.824 -179.413 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.71 ' HZ2' HD22 ' A' ' 17' ' ' ASN . 19.3 pttm -86.28 -15.73 39.76 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.35 -0.843 . . . . 0.0 108.801 178.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.71 HD22 ' HZ2' ' A' ' 16' ' ' LYS . 73.9 m-20 -93.26 -15.63 25.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.551 -0.718 . . . . 0.0 109.71 -179.652 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -105.31 129.53 53.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -0.91 . . . . 0.0 109.162 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -74.83 86.71 2.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.127 -0.983 . . . . 0.0 109.03 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.67 -35.93 73.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.391 -0.818 . . . . 0.0 109.233 -179.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.72 ' HE ' HH21 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -58.25 -43.88 88.08 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.412 ' HG3' HD22 ' A' ' 26' ' ' ASN . 9.0 ttt85 -68.04 -46.96 69.69 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.302 -0.874 . . . . 0.0 109.598 179.402 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.5 p -65.41 -35.42 80.89 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.314 -0.866 . . . . 0.0 109.323 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 31.4 tp -62.57 -47.2 84.86 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.217 -0.927 . . . . 0.0 110.173 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.72 HH21 ' HE ' ' A' ' 21' ' ' ARG . 13.4 ptp180 -67.61 -25.32 65.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.147 -0.97 . . . . 0.0 109.101 -179.787 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.412 HD22 ' HG3' ' A' ' 22' ' ' ARG . 90.3 m-20 -77.15 -2.05 32.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.459 -0.776 . . . . 0.0 109.557 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.86 23.16 60.17 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.45 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.5 t0 -60.46 -38.49 84.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.286 -1.126 . . . . 0.0 109.881 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.433 ' SG ' ' CD1' ' A' ' 24' ' ' LEU . 25.5 m -66.84 -20.37 65.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.993 -1.067 . . . . 0.0 108.25 179.397 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -94.69 -2.6 50.88 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.676 -0.64 . . . . 0.0 110.116 -179.433 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.452 HD21 ' HE3' ' A' ' 34' ' ' LYS . 52.2 t-20 -98.81 114.93 27.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.037 -1.039 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 35' ' ' LEU . 49.7 t0 -58.42 -33.15 69.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.426 -0.796 . . . . 0.0 109.28 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -66.36 -23.85 66.41 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.368 -0.832 . . . . 0.0 109.867 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HE3' HD21 ' A' ' 31' ' ' ASN . 42.7 mttt -111.37 -1.57 15.94 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.117 -0.99 . . . . 0.0 109.685 -179.225 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 32' ' ' ASP . 14.6 mt -57.04 -44.04 82.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.179 -0.95 . . . . 0.0 109.435 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.66 -38.67 89.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.048 -1.033 . . . . 0.0 108.483 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.92 -42.22 97.7 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.609 -0.837 . . . . 0.0 108.792 179.517 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.53 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.1 mmt -70.45 -46.15 64.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.508 -0.745 . . . . 0.0 110.051 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.75 -25.91 56.67 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 108.398 -1.881 . . . . 0.0 108.398 179.383 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -95.43 -54.32 3.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.591 -0.946 . . . . 0.0 110.024 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -78.81 -47.29 16.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.164 -0.96 . . . . 0.0 111.268 -178.843 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.5 m -135.96 71.56 62.6 Favored Pre-proline 0 N--CA 1.489 1.507 0 C-N-CA 118.905 -1.118 . . . . 0.0 111.151 -178.594 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.13 -32.24 27.94 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.523 2.148 . . . . 0.0 111.28 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.7 t -78.18 -43.47 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.409 -0.807 . . . . 0.0 109.706 179.785 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.0 m -61.21 -38.29 86.07 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.393 -0.817 . . . . 0.0 110.82 -179.025 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 57.8 m -86.1 -3.29 58.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.047 -1.033 . . . . 0.0 110.618 -178.461 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.59 35.17 33.19 Favored Glycine 0 N--CA 1.491 2.327 0 C-N-CA 120.075 -1.06 . . . . 0.0 111.224 178.699 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -104.4 -10.55 17.66 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.895 -1.356 . . . . 0.0 107.933 178.563 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t -155.54 175.27 14.11 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.559 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -110.92 149.39 40.35 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.107 -0.996 . . . . 0.0 109.25 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.479 ' OXT' ' O ' ' A' ' 12' ' ' CYS . 52.4 Cg_exo . . . . . 0 C--N 1.306 -1.708 0 C-N-CA 122.116 1.878 . . . . 0.0 112.014 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 121.198 0.523 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.544 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 51.0 p30 -76.48 148.72 37.01 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.239 -0.913 . . . . 0.0 108.571 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 136.08 54.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.841 -1.162 . . . . 0.0 110.095 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -80.34 -27.12 38.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.593 -0.692 . . . . 0.0 109.296 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -91.02 -8.19 49.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.43 -0.794 . . . . 0.0 109.917 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -104.94 132.43 51.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.957 . . . . 0.0 108.94 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -79.9 84.93 5.59 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.231 -0.918 . . . . 0.0 108.934 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 m -70.67 -33.94 71.47 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.303 -0.873 . . . . 0.0 109.445 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.496 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.86 -49.42 77.55 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.433 -0.792 . . . . 0.0 108.877 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.527 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 10.1 ttt85 -67.26 -44.13 80.13 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.354 -0.841 . . . . 0.0 109.343 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.8 m -63.89 -36.2 83.15 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 109.155 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.557 HD12 ' SG ' ' A' ' 29' ' ' CYS . 34.4 tp -65.93 -46.81 76.83 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.283 -0.886 . . . . 0.0 110.661 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 31.3 ptt180 -68.48 -24.88 64.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.03 -1.044 . . . . 0.0 108.74 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -76.53 -2.67 33.5 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.95 23.14 62.23 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.246 -1.541 . . . . 0.0 109.246 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.412 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.8 t0 -58.17 -39.21 78.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.321 -1.105 . . . . 0.0 109.255 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.557 ' SG ' HD12 ' A' ' 24' ' ' LEU . 25.3 m -67.02 -20.95 65.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 108.813 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -93.66 -2.0 54.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.319 -0.863 . . . . 0.0 110.172 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -98.57 113.89 26.11 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.028 -1.045 . . . . 0.0 109.183 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.609 ' HA ' HD12 ' A' ' 35' ' ' LEU . 53.9 t0 -56.42 -34.0 66.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.157 -0.965 . . . . 0.0 109.167 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -65.42 -24.65 67.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.463 -0.773 . . . . 0.0 109.959 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 27.9 mttm -110.56 -3.15 16.1 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.099 -1.001 . . . . 0.0 109.581 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.9 mt -55.27 -42.06 73.07 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.849 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -67.17 -39.58 86.49 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.29 -0.882 . . . . 0.0 108.763 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.25 -39.45 90.41 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.421 -0.799 . . . . 0.0 109.154 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.55 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.7 mmt -70.11 -46.4 64.9 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.694 -0.629 . . . . 0.0 110.483 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.89 -27.51 59.48 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.345 -1.902 . . . . 0.0 108.345 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -94.44 -53.27 3.98 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.718 -0.872 . . . . 0.0 110.38 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -80.16 -46.84 15.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.066 -1.021 . . . . 0.0 111.447 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.2 m -136.33 70.43 61.3 Favored Pre-proline 0 N--CA 1.489 1.482 0 O-C-N 120.693 -1.254 . . . . 0.0 110.869 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.81 -33.11 44.69 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.545 2.163 . . . . 0.0 111.233 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -78.42 -44.91 26.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.617 -0.677 . . . . 0.0 109.675 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.0 m -58.91 -38.87 79.91 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.407 -0.808 . . . . 0.0 110.952 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 69.7 m -85.89 -2.19 58.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.891 -1.13 . . . . 0.0 110.633 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.35 38.1 26.18 Favored Glycine 0 N--CA 1.49 2.281 0 C-N-CA 119.64 -1.267 . . . . 0.0 110.872 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.0 m-30 -107.8 -12.16 15.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.884 -1.362 . . . . 0.0 108.068 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.303 -1.415 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.197 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.435 0.636 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.511 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 88.0 m-20 -68.72 139.65 55.37 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.308 -0.87 . . . . 0.0 108.825 179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 139.51 54.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.156 -0.965 . . . . 0.0 109.565 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -83.23 -25.59 31.57 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.301 -0.874 . . . . 0.0 109.548 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -92.6 -4.02 54.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.945 . . . . 0.0 109.816 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -108.73 132.96 53.44 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.185 -0.947 . . . . 0.0 109.174 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -80.25 84.79 5.86 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.213 -0.93 . . . . 0.0 109.06 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.0 m -67.29 -34.58 77.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.309 -0.869 . . . . 0.0 108.973 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.423 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.73 -45.23 95.07 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.637 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 7.3 ttp180 -69.68 -47.61 62.64 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.34 -0.85 . . . . 0.0 109.524 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -63.46 -36.66 84.5 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.502 -0.749 . . . . 0.0 109.192 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.508 HD12 ' SG ' ' A' ' 29' ' ' CYS . 45.2 tp -63.74 -50.78 67.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.218 -0.926 . . . . 0.0 110.609 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 18.6 ptt180 -67.21 -25.09 65.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.09 -1.006 . . . . 0.0 109.124 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -75.96 -3.03 33.28 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.46 25.39 59.01 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.403 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 14.4 t0 -60.89 -40.32 92.58 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.458 -1.025 . . . . 0.0 109.002 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.508 ' SG ' HD12 ' A' ' 24' ' ' LEU . 26.4 m -66.1 -20.69 66.24 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -96.74 2.87 52.46 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.423 -0.798 . . . . 0.0 109.869 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.472 HD22 ' HE3' ' A' ' 34' ' ' LYS . 50.3 t-20 -100.82 114.75 28.83 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 109.26 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.594 ' HA ' HD12 ' A' ' 35' ' ' LEU . 78.4 m-20 -56.63 -34.1 66.94 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.355 -0.841 . . . . 0.0 109.246 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -67.49 -25.87 66.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.404 -0.81 . . . . 0.0 109.934 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HE3' HD22 ' A' ' 31' ' ' ASN . 75.6 mttt -109.41 -2.84 17.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.23 -0.919 . . . . 0.0 109.802 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 32' ' ' ASP . 11.6 mt -52.71 -46.8 67.51 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.536 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -65.54 -39.83 92.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -0.923 . . . . 0.0 109.183 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -58.38 -40.56 82.67 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.427 -0.795 . . . . 0.0 109.332 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.596 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.3 mmt -70.47 -45.3 65.99 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.433 -0.792 . . . . 0.0 110.162 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.99 -28.14 57.8 Favored Glycine 0 N--CA 1.483 1.81 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -94.88 -55.58 3.06 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.64 -0.918 . . . . 0.0 110.662 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -77.05 -47.61 20.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.174 -0.954 . . . . 0.0 111.027 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 38' ' ' MET . 9.7 m -134.96 71.5 69.35 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 120.679 -1.263 . . . . 0.0 110.824 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.94 -33.58 32.39 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.653 2.235 . . . . 0.0 111.624 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 81.9 t -78.88 -44.32 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.524 -0.735 . . . . 0.0 110.095 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.511 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 35.2 m -59.48 -38.86 81.93 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.368 -0.832 . . . . 0.0 110.608 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.596 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 93.3 m -85.69 -13.07 49.61 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.136 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.6 36.6 8.54 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.878 -1.153 . . . . 0.0 112.214 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.54 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 38.7 m-85 -104.66 -13.12 16.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.644 -1.503 . . . . 0.0 107.54 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.301 -1.501 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 121.359 0.599 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.536 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 81.6 m-20 -63.99 138.12 58.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.334 -0.854 . . . . 0.0 109.076 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.58 136.57 58.1 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.012 -1.055 . . . . 0.0 109.674 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -75.81 -28.99 58.54 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.204 -0.935 . . . . 0.0 109.91 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -91.96 -5.48 53.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.023 -1.048 . . . . 0.0 109.947 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -103.82 133.11 49.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.131 -0.981 . . . . 0.0 109.115 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -82.12 84.75 6.93 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.247 -0.908 . . . . 0.0 108.734 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.561 ' HB3' HG21 ' A' ' 45' ' ' THR . 18.6 m -67.37 -35.43 79.33 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.469 -0.77 . . . . 0.0 109.289 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.65 HH12 ' NH1' ' A' ' 25' ' ' ARG . 1.1 tmt_? -61.14 -46.12 91.86 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.542 0.687 . . . . 0.0 109.322 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 13.6 ttt180 -68.77 -46.96 67.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.123 -0.985 . . . . 0.0 109.678 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.5 m -64.42 -35.59 81.41 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.511 -0.743 . . . . 0.0 109.708 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.613 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.2 tp -65.61 -50.66 64.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.973 -1.079 . . . . 0.0 110.222 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.65 ' NH1' HH12 ' A' ' 21' ' ' ARG . 39.3 ptt180 -65.91 -22.74 66.52 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.984 -1.073 . . . . 0.0 108.611 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -78.37 -2.02 36.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.543 -0.723 . . . . 0.0 109.709 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.47 20.28 69.46 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.403 ' OD1' ' HB3' ' A' ' 34' ' ' LYS . 11.0 t0 -59.26 -40.14 85.08 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.434 -1.039 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.613 ' SG ' HD12 ' A' ' 24' ' ' LEU . 42.0 m -66.8 -22.03 66.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 0.0 108.642 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -93.19 -1.01 56.71 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.513 -0.742 . . . . 0.0 110.185 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -98.34 115.1 27.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.991 -1.068 . . . . 0.0 109.369 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.648 ' HA ' HD12 ' A' ' 35' ' ' LEU . 20.5 t70 -56.57 -34.07 66.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -0.897 . . . . 0.0 109.376 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -67.11 -24.05 65.89 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.537 -0.727 . . . . 0.0 110.327 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . 17.5 mttt -109.93 -2.16 17.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.205 -0.934 . . . . 0.0 110.074 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.9 mt -56.2 -44.76 79.79 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.251 -0.905 . . . . 0.0 109.427 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.06 -41.39 95.18 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.275 -0.891 . . . . 0.0 109.157 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -61.93 -38.37 88.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.433 -0.792 . . . . 0.0 109.458 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.567 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.1 mmt -68.04 -45.22 74.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.356 -0.84 . . . . 0.0 109.462 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.98 -27.41 64.62 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.283 -1.927 . . . . 0.0 108.283 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 38.1 t80 -90.14 -50.02 6.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.745 -0.856 . . . . 0.0 109.87 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -83.64 -54.26 5.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.215 -0.928 . . . . 0.0 111.042 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.5 m -131.57 76.55 74.84 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 120.76 -1.213 . . . . 0.0 110.887 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.83 -32.42 22.86 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.381 2.054 . . . . 0.0 110.639 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.7 t -78.89 -43.33 24.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.55 -0.719 . . . . 0.0 109.422 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.561 HG21 ' HB3' ' A' ' 20' ' ' CYS . 55.6 m -58.04 -39.5 78.57 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.461 -0.774 . . . . 0.0 110.781 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.567 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 70.6 m -86.46 -4.2 59.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.102 -0.999 . . . . 0.0 110.852 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.26 38.55 14.7 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.841 -1.171 . . . . 0.0 111.088 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 14.7 m-30 -108.01 -14.94 14.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.985 -1.303 . . . . 0.0 107.965 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.957 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.375 0.607 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.549 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 47.1 p30 -74.21 145.7 43.92 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.232 -0.917 . . . . 0.0 109.135 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.5 134.53 51.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.001 -1.062 . . . . 0.0 109.474 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HG3' ' HZ2' ' A' ' 16' ' ' LYS . 18.1 pttp -81.76 -25.6 35.18 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.426 -0.796 . . . . 0.0 109.47 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -88.17 -5.2 58.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.0 110.039 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -111.85 135.5 52.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.96 . . . . 0.0 109.016 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -79.96 85.27 5.59 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.214 -0.929 . . . . 0.0 108.612 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.8 m -68.62 -36.72 79.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 109.288 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.427 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.69 -46.53 90.03 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.471 ' HE ' HH21 ' A' ' 25' ' ' ARG . 12.7 ttm180 -66.78 -47.99 70.42 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.208 -0.933 . . . . 0.0 109.212 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.7 m -62.79 -35.38 79.69 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.339 -0.851 . . . . 0.0 109.164 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.599 HD12 ' SG ' ' A' ' 29' ' ' CYS . 26.8 tp -64.59 -50.87 65.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.331 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.471 HH21 ' HE ' ' A' ' 22' ' ' ARG . 29.1 ptt180 -66.44 -25.05 66.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.011 -1.056 . . . . 0.0 108.771 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -75.45 -1.35 23.65 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.03 22.11 72.23 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.42 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.6 t0 -57.71 -38.67 75.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.282 -1.128 . . . . 0.0 108.993 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.599 ' SG ' HD12 ' A' ' 24' ' ' LEU . 34.7 m -66.48 -20.28 66.0 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.223 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -95.84 3.2 53.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.47 -0.768 . . . . 0.0 109.957 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -101.12 114.33 28.18 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.079 -1.013 . . . . 0.0 109.3 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.682 ' HA ' HD12 ' A' ' 35' ' ' LEU . 88.6 m-20 -55.29 -34.82 64.46 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.511 -0.743 . . . . 0.0 109.095 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -67.7 -26.1 66.0 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.641 -0.662 . . . . 0.0 110.343 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 12.9 mttm -108.41 -2.56 18.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.136 -0.977 . . . . 0.0 109.627 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.4 mt -56.02 -46.99 78.63 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.194 -0.941 . . . . 0.0 109.406 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.36 -39.74 94.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.076 -1.015 . . . . 0.0 108.964 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -61.33 -39.1 89.28 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.379 -0.826 . . . . 0.0 109.414 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.57 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.3 mmt -69.26 -44.88 71.03 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.29 -0.881 . . . . 0.0 109.932 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.66 -24.39 56.88 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 30.8 t80 -94.94 -54.92 3.27 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.755 -0.85 . . . . 0.0 110.305 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -77.82 -54.75 5.97 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.181 -0.95 . . . . 0.0 110.587 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.2 m -129.88 74.14 80.87 Favored Pre-proline 0 N--CA 1.487 1.418 0 O-C-N 120.922 -1.111 . . . . 0.0 111.139 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.46 -33.22 38.14 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.723 2.282 . . . . 0.0 111.195 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.7 t -78.69 -43.01 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.557 -0.715 . . . . 0.0 109.595 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.406 HG22 HD13 ' A' ' 24' ' ' LEU . 90.3 m -59.27 -38.29 79.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.516 -0.74 . . . . 0.0 110.92 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 62.3 m -86.53 -3.16 58.98 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.985 -1.072 . . . . 0.0 110.692 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.69 39.33 17.93 Favored Glycine 0 N--CA 1.49 2.264 0 C-N-CA 119.888 -1.148 . . . . 0.0 110.858 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.8 m-30 -110.39 -14.58 14.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.079 -1.248 . . . . 0.0 108.594 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.3 -1.575 0 O-C-N 121.576 -0.702 . . . . 0.0 109.567 179.661 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 121.332 0.587 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 43.1 p30 -67.74 139.03 56.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.337 -0.852 . . . . 0.0 109.199 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 138.8 58.26 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.919 -1.113 . . . . 0.0 109.743 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -84.23 -26.28 28.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.174 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -90.12 -7.57 53.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.441 -0.787 . . . . 0.0 110.508 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -109.08 131.49 55.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.879 -1.138 . . . . 0.0 108.985 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -78.0 85.94 4.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.323 -0.86 . . . . 0.0 109.492 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -68.47 -35.87 78.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.377 -0.827 . . . . 0.0 109.215 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.457 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -56.94 -42.34 79.87 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HG3' HD21 ' A' ' 26' ' ' ASN . 20.9 ttt-85 -68.62 -47.13 67.45 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.71 -0.619 . . . . 0.0 109.619 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.9 p -67.89 -35.02 77.77 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.384 -0.823 . . . . 0.0 109.053 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.665 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.0 tp -64.69 -49.36 71.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.413 -0.804 . . . . 0.0 110.391 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 44.2 ptt85 -68.07 -26.23 65.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.2 -0.937 . . . . 0.0 109.259 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.504 HD21 ' HG3' ' A' ' 22' ' ' ARG . 95.9 m-20 -75.81 -1.79 26.86 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.445 -0.785 . . . . 0.0 108.946 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.4 22.6 62.27 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.9 -40.18 79.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -1.166 . . . . 0.0 109.681 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.665 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.9 m -63.81 -20.05 65.48 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -96.02 1.91 53.01 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.56 -0.713 . . . . 0.0 110.929 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -102.64 115.69 31.09 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.946 -1.096 . . . . 0.0 109.591 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.61 ' HA ' HD12 ' A' ' 35' ' ' LEU . 85.3 m-20 -56.9 -33.4 66.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.288 -0.882 . . . . 0.0 109.236 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.85 -22.68 64.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.274 -0.891 . . . . 0.0 110.247 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -111.03 -1.87 16.13 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.969 -1.082 . . . . 0.0 109.843 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.5 mt -56.68 -43.81 80.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.183 -0.948 . . . . 0.0 109.351 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.75 -38.05 85.85 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.099 -1.001 . . . . 0.0 108.928 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -60.84 -40.75 94.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.329 -0.857 . . . . 0.0 109.126 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.488 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.9 mmt -70.87 -44.88 65.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.329 -0.857 . . . . 0.0 109.846 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.0 -28.57 58.34 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 108.158 -1.977 . . . . 0.0 108.158 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -94.07 -53.28 4.03 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.774 -0.839 . . . . 0.0 110.64 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -80.56 -48.99 11.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.093 -1.004 . . . . 0.0 111.063 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.9 m -134.87 72.54 68.22 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 120.646 -1.284 . . . . 0.0 110.995 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' MET . 47.0 Cg_endo -69.57 -33.59 17.01 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.473 2.116 . . . . 0.0 111.147 178.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -77.31 -42.34 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.646 -0.659 . . . . 0.0 109.373 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.9 m -60.97 -38.45 86.01 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.556 -0.715 . . . . 0.0 110.946 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 56.5 m -86.36 -1.95 57.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.946 -1.096 . . . . 0.0 110.629 -178.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.26 37.07 25.58 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 120.21 -0.995 . . . . 0.0 111.144 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.5 m-30 -106.36 -15.64 14.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.758 -1.436 . . . . 0.0 108.249 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.299 -1.589 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.41 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 121.455 0.645 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.569 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 55.3 p30 -76.32 148.61 37.37 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.294 -0.879 . . . . 0.0 109.348 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.16 138.09 58.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.024 -1.047 . . . . 0.0 109.551 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -87.33 -25.83 23.69 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -87.91 -6.8 57.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.574 -0.704 . . . . 0.0 109.839 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -110.56 129.88 55.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.114 -0.991 . . . . 0.0 109.347 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -75.97 84.12 2.87 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.193 -0.942 . . . . 0.0 108.562 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.427 ' HB3' HG21 ' A' ' 45' ' ' THR . 30.2 m -66.07 -34.17 77.46 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 0.0 108.871 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.05 -43.84 91.74 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.624 -0.672 . . . . 0.0 109.215 179.618 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.514 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 21.8 ttt-85 -68.28 -46.94 69.01 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.259 -0.901 . . . . 0.0 109.402 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.7 p -66.37 -34.16 77.34 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.23 -0.919 . . . . 0.0 109.063 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.613 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.0 tp -65.35 -49.93 67.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.882 . . . . 0.0 110.007 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 22.9 ptt180 -66.21 -24.71 66.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.126 -0.984 . . . . 0.0 108.954 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -77.4 -1.39 29.89 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.58 -0.7 . . . . 0.0 109.424 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 21.05 66.1 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -57.43 -39.76 76.91 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.279 -1.13 . . . . 0.0 109.375 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.613 ' SG ' HD12 ' A' ' 24' ' ' LEU . 50.4 m -64.91 -21.53 66.84 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -95.36 0.5 53.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.631 -0.668 . . . . 0.0 110.097 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -99.17 113.37 25.58 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.004 -1.06 . . . . 0.0 109.072 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.56 ' HA ' HD12 ' A' ' 35' ' ' LEU . 82.9 m-20 -56.77 -34.13 67.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 109.147 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -66.38 -24.51 66.5 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.52 -0.738 . . . . 0.0 110.15 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -110.58 -3.49 15.92 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.084 -1.01 . . . . 0.0 109.777 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.7 mt -52.85 -46.2 67.73 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.227 -0.92 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.23 -37.51 85.69 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.886 . . . . 0.0 108.658 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -60.54 -40.17 90.58 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.484 -0.76 . . . . 0.0 109.417 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.576 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.3 mmt -72.0 -45.46 60.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.104 -0.997 . . . . 0.0 109.393 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.61 -27.72 49.6 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.123 -1.991 . . . . 0.0 108.123 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -95.13 -53.29 3.86 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.906 -0.761 . . . . 0.0 110.125 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -78.52 -48.38 15.39 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 110.914 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.5 m -137.43 75.41 45.34 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 120.753 -1.217 . . . . 0.0 110.994 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.01 -34.25 29.62 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.375 2.05 . . . . 0.0 111.281 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.5 t -78.83 -42.37 24.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.442 -0.786 . . . . 0.0 109.519 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.427 HG21 ' HB3' ' A' ' 20' ' ' CYS . 53.4 m -57.51 -39.8 77.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.326 -0.859 . . . . 0.0 110.52 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.576 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 59.3 m -86.48 -0.61 56.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.978 -1.076 . . . . 0.0 111.015 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.25 35.72 37.05 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 119.693 -1.241 . . . . 0.0 110.573 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.1 m-30 -104.85 -14.49 15.48 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.19 -1.182 . . . . 0.0 108.232 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.301 -1.536 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.307 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.288 0.566 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.467 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 86.9 m-20 -72.13 138.54 47.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.325 -0.859 . . . . 0.0 109.202 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.26 140.09 56.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.008 -1.057 . . . . 0.0 109.176 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -86.14 -25.25 25.85 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.305 -0.872 . . . . 0.0 109.919 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.27 -13.36 38.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.061 -1.024 . . . . 0.0 109.788 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -107.27 129.13 54.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.142 -0.974 . . . . 0.0 108.739 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -79.24 107.18 11.81 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.155 -0.966 . . . . 0.0 108.773 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 m -80.98 -34.95 32.66 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.755 -0.591 . . . . 0.0 109.563 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -43.99 94.18 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.181 -0.949 . . . . 0.0 108.586 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 16.9 ttt180 -66.05 -47.35 74.63 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.288 -0.883 . . . . 0.0 109.563 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.3 p -67.78 -34.68 77.27 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.222 -0.924 . . . . 0.0 109.237 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.653 HD12 ' SG ' ' A' ' 29' ' ' CYS . 27.6 tp -64.66 -50.5 66.8 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.257 -0.902 . . . . 0.0 110.091 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 36.0 ptt180 -66.41 -24.31 66.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 109.206 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -78.08 -2.14 35.88 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.521 -0.737 . . . . 0.0 109.396 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.7 22.35 62.07 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.9 t0 -60.31 -38.76 84.69 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.361 -1.082 . . . . 0.0 109.391 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.653 ' SG ' HD12 ' A' ' 24' ' ' LEU . 22.3 m -67.41 -20.9 65.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.044 -1.035 . . . . 0.0 108.704 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -94.52 0.69 55.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.412 -0.805 . . . . 0.0 109.962 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -100.77 114.4 28.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.085 -1.009 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.582 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.4 m-20 -57.42 -33.93 68.4 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.349 -0.844 . . . . 0.0 109.234 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -67.94 -22.96 65.02 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.458 -0.776 . . . . 0.0 109.925 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 18.2 mttm -111.13 -1.51 16.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.208 -0.933 . . . . 0.0 109.657 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.4 mt -56.87 -45.32 82.57 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.357 -0.839 . . . . 0.0 109.16 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.19 -38.03 89.2 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.439 -0.788 . . . . 0.0 109.072 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -61.92 -41.62 98.14 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.357 -0.839 . . . . 0.0 109.147 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.564 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.9 mmt -69.62 -45.24 68.97 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.177 -0.952 . . . . 0.0 109.869 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.07 -27.66 60.15 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 29.5 t80 -94.16 -49.16 5.88 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.604 -0.939 . . . . 0.0 110.102 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -82.94 -52.69 6.45 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.236 -0.915 . . . . 0.0 110.879 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 19.1 m -131.14 71.66 81.97 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 120.873 -1.142 . . . . 0.0 110.96 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.71 -34.02 42.39 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.463 2.109 . . . . 0.0 111.597 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.9 t -78.25 -42.85 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.585 -0.697 . . . . 0.0 110.054 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.467 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 63.6 m -61.31 -36.51 80.3 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -0.975 . . . . 0.0 110.925 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.564 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 58.4 m -86.56 -5.86 59.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.932 -1.105 . . . . 0.0 110.296 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.35 35.56 22.98 Favored Glycine 0 N--CA 1.493 2.463 0 C-N-CA 119.829 -1.176 . . . . 0.0 110.918 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.7 m-30 -105.65 -11.61 16.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.79 -1.418 . . . . 0.0 107.999 178.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.301 -1.543 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.328 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.065 0.459 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.439 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 79.1 m-20 -70.95 140.55 50.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.89 . . . . 0.0 109.296 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 135.01 57.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.035 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -82.09 -20.76 37.49 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.173 -0.954 . . . . 0.0 109.688 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -94.34 -6.48 44.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.165 -0.959 . . . . 0.0 110.421 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -108.49 129.82 55.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.106 -0.996 . . . . 0.0 109.532 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -75.82 85.25 2.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 108.966 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.3 m -69.63 -34.69 74.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.481 -0.762 . . . . 0.0 109.435 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.88 -44.21 91.1 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 25.8 ttt-85 -67.95 -47.64 68.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.517 -0.739 . . . . 0.0 109.795 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.1 p -65.27 -35.16 80.19 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.199 -0.938 . . . . 0.0 109.343 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.619 HD12 ' SG ' ' A' ' 29' ' ' CYS . 25.1 tp -64.55 -51.7 61.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.55 -0.719 . . . . 0.0 109.918 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 23.2 ptt180 -65.65 -23.91 66.9 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.228 -0.92 . . . . 0.0 109.005 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -78.21 -1.04 30.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.335 -0.853 . . . . 0.0 109.497 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.08 22.23 66.13 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -60.06 -41.25 91.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.403 -1.057 . . . . 0.0 109.696 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.619 ' SG ' HD12 ' A' ' 24' ' ' LEU . 32.4 m -64.25 -20.21 65.9 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.095 -1.003 . . . . 0.0 108.876 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -96.16 2.05 52.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.421 -0.799 . . . . 0.0 110.093 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 50.2 t-20 -100.31 113.74 26.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.148 -0.97 . . . . 0.0 109.187 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.603 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.0 m-20 -55.92 -33.77 64.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.299 -0.876 . . . . 0.0 109.205 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -67.33 -23.41 65.62 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.641 -0.662 . . . . 0.0 110.469 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HG3' ' ND2' ' A' ' 31' ' ' ASN . 22.1 mttt -111.73 -1.08 15.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.174 -0.954 . . . . 0.0 109.809 -179.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 32' ' ' ASP . 16.4 mt -58.48 -43.96 89.17 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.405 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.9 -40.12 91.22 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.249 -0.907 . . . . 0.0 108.918 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.73 -38.83 89.37 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.416 -0.802 . . . . 0.0 108.997 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.568 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 36.3 mmt -68.55 -47.82 65.87 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.378 -0.826 . . . . 0.0 109.801 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.79 -23.71 51.38 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -93.18 -52.17 4.68 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.853 -0.792 . . . . 0.0 110.468 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -82.15 -56.57 3.85 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.129 -0.982 . . . . 0.0 111.035 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.5 m -128.54 73.78 80.44 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 120.941 -1.099 . . . . 0.0 110.963 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.99 -32.46 53.9 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.395 2.063 . . . . 0.0 111.009 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.3 t -80.09 -44.36 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.557 -0.714 . . . . 0.0 109.708 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.439 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 61.7 m -56.54 -38.06 71.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.148 -0.97 . . . . 0.0 110.314 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.568 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 63.5 m -86.3 -5.85 59.09 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.041 -1.037 . . . . 0.0 110.443 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.29 34.95 27.94 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.26 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 18.0 m-85 -104.23 -16.72 15.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.61 -1.524 . . . . 0.0 108.006 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.298 -1.644 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.345 -179.659 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.303 0.573 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.514 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.0 m-20 -74.15 140.57 45.28 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.289 -0.882 . . . . 0.0 109.302 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 136.33 57.23 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.215 -0.928 . . . . 0.0 108.902 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -82.61 -26.69 32.03 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.271 -0.893 . . . . 0.0 109.173 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -90.45 -4.85 56.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.445 -0.784 . . . . 0.0 110.159 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -107.72 128.9 54.98 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.053 -1.029 . . . . 0.0 109.224 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -76.27 84.91 3.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.125 -0.985 . . . . 0.0 108.531 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -69.82 -35.52 74.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.4 -0.812 . . . . 0.0 109.455 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.483 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -57.08 -44.61 83.27 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 20.3 ttt-85 -68.01 -46.82 70.19 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.344 -0.847 . . . . 0.0 109.847 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.7 p -66.19 -34.23 77.56 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.187 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.656 HD12 ' SG ' ' A' ' 29' ' ' CYS . 27.9 tp -65.88 -49.58 67.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.324 -0.86 . . . . 0.0 110.592 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 27.3 ptt180 -68.02 -21.15 65.05 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.076 -1.015 . . . . 0.0 109.127 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -80.4 -2.97 47.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.584 -0.698 . . . . 0.0 109.269 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.5 20.48 61.96 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 22.5 t0 -58.52 -40.26 82.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -1.116 . . . . 0.0 109.623 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.656 ' SG ' HD12 ' A' ' 24' ' ' LEU . 27.4 m -66.79 -18.42 65.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.129 -0.982 . . . . 0.0 108.848 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -98.05 0.63 46.56 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.427 -0.796 . . . . 0.0 110.269 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -99.08 116.2 30.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.183 -0.948 . . . . 0.0 109.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.612 ' HA ' HD12 ' A' ' 35' ' ' LEU . 85.5 m-20 -58.02 -34.21 69.79 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.08 -1.012 . . . . 0.0 109.238 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -65.93 -24.73 66.89 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.375 -0.828 . . . . 0.0 110.033 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.434 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 40.6 mttt -110.7 -1.44 16.72 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.097 -1.002 . . . . 0.0 109.876 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.6 mt -53.87 -45.53 71.04 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.231 -0.918 . . . . 0.0 109.455 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -66.26 -36.89 84.16 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.275 -0.891 . . . . 0.0 109.434 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.12 -40.92 97.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.193 -0.942 . . . . 0.0 109.435 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.67 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 36.9 mmt -70.14 -45.8 66.07 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.396 -0.815 . . . . 0.0 109.882 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.17 -26.95 56.94 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -94.39 -55.38 3.19 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.571 -0.958 . . . . 0.0 110.839 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -78.15 -48.82 15.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.244 -0.91 . . . . 0.0 110.787 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.3 m -132.52 72.6 77.79 Favored Pre-proline 0 N--CA 1.489 1.487 0 C-N-CA 119.196 -1.002 . . . . 0.0 110.706 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.49 -34.32 26.5 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.355 2.037 . . . . 0.0 111.204 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.9 t -79.13 -44.22 24.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.686 -0.634 . . . . 0.0 109.57 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.514 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 54.8 m -56.86 -39.43 74.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.561 -0.712 . . . . 0.0 110.724 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.67 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 76.4 m -86.09 -13.23 47.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.087 -1.008 . . . . 0.0 110.499 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.57 34.9 9.78 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.748 -1.215 . . . . 0.0 111.766 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' A' ' 46' ' ' CYS . 38.8 m-85 -102.5 -14.8 16.67 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.788 -1.419 . . . . 0.0 107.41 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.299 -1.6 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 121.373 0.606 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.549 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.9 m-20 -66.99 134.84 52.77 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.35 -0.844 . . . . 0.0 109.111 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 138.97 55.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.207 -0.933 . . . . 0.0 109.401 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' NZ ' ' OD1' ' A' ' 17' ' ' ASN . 8.7 pttm -85.46 -22.26 28.34 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.364 -0.835 . . . . 0.0 109.221 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.475 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 33.8 m120 -88.88 -10.36 48.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.231 -0.918 . . . . 0.0 109.042 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -107.92 133.92 51.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.021 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -81.4 86.34 6.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.001 -1.062 . . . . 0.0 108.718 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -68.39 -36.52 79.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.203 -0.936 . . . . 0.0 109.874 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.426 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.28 -45.32 91.55 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 16.6 ttt-85 -69.32 -47.24 65.01 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.185 -0.947 . . . . 0.0 109.188 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -61.89 -37.64 85.35 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.335 -0.853 . . . . 0.0 109.597 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' SG ' ' A' ' 29' ' ' CYS . 40.9 tp -62.59 -49.29 75.82 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.291 -0.88 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 8.3 ptm180 -67.24 -22.73 65.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.963 -1.086 . . . . 0.0 108.872 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -77.79 -1.51 31.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.504 -0.748 . . . . 0.0 109.33 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.43 22.42 64.89 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.448 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 19.8 t0 -59.19 -40.26 85.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -1.061 . . . . 0.0 109.072 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' HD12 ' A' ' 24' ' ' LEU . 21.2 m -67.03 -21.06 65.94 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -94.59 -0.77 54.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.409 -0.807 . . . . 0.0 110.132 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.466 HD22 ' HE3' ' A' ' 34' ' ' LYS . 59.6 t-20 -98.95 114.5 27.16 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.892 -1.13 . . . . 0.0 109.24 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.597 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.2 m-20 -57.23 -32.28 66.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 0.0 109.029 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -68.51 -22.07 64.55 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.698 -0.626 . . . . 0.0 110.326 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HE3' HD22 ' A' ' 31' ' ' ASN . 32.4 mttt -113.16 -2.11 14.2 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.089 -1.007 . . . . 0.0 109.41 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 32' ' ' ASP . 15.0 mt -55.7 -44.31 77.3 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.251 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.15 -38.6 91.12 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.252 -0.905 . . . . 0.0 108.841 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -61.93 -39.0 90.55 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.323 -0.861 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.553 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.4 mmt -70.67 -48.28 55.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.485 -0.76 . . . . 0.0 109.707 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.37 -26.33 50.91 Favored Glycine 0 N--CA 1.485 1.952 0 N-CA-C 108.265 -1.934 . . . . 0.0 108.265 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -95.27 -54.39 3.43 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.49 -1.006 . . . . 0.0 110.599 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -80.93 -48.54 12.18 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.103 -0.998 . . . . 0.0 111.071 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.3 m -131.83 69.45 81.06 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 120.99 -1.069 . . . . 0.0 110.779 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' MET . 40.2 Cg_endo -67.47 -33.95 27.7 Favored 'Trans proline' 0 C--N 1.303 -1.86 0 C-N-CA 122.424 2.083 . . . . 0.0 111.668 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.0 t -78.61 -41.84 25.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.52 -0.737 . . . . 0.0 110.039 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.549 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 33.9 m -61.83 -38.25 87.49 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.251 -0.906 . . . . 0.0 110.712 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.553 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 67.4 m -85.8 0.33 53.22 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.158 -0.964 . . . . 0.0 110.636 -178.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.43 38.75 32.47 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 120.015 -1.088 . . . . 0.0 110.726 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -109.15 -12.47 14.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.181 -1.188 . . . . 0.0 108.224 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.645 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.194 0.521 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.603 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 50.2 p30 -75.81 138.96 41.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.039 -1.038 . . . . 0.0 108.823 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.566 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -59.78 140.91 56.19 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.034 -1.041 . . . . 0.0 109.798 -179.499 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -85.8 -25.26 26.43 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.239 -0.913 . . . . 0.0 109.376 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -86.72 -2.92 58.93 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.223 -0.923 . . . . 0.0 109.503 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -113.2 132.58 55.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.452 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -79.78 84.98 5.51 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.099 -1.0 . . . . 0.0 108.783 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.2 m -71.67 -36.18 70.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.512 -0.742 . . . . 0.0 109.797 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.479 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.08 -48.16 82.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.287 -0.883 . . . . 0.0 108.888 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.54 ' HE ' HH21 ' A' ' 25' ' ' ARG . 10.8 ttm180 -68.26 -46.12 71.3 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.212 -0.93 . . . . 0.0 109.551 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -62.17 -35.74 79.75 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.22 -0.925 . . . . 0.0 109.073 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.517 HD12 ' SG ' ' A' ' 29' ' ' CYS . 41.1 tp -65.46 -47.37 76.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.466 -0.771 . . . . 0.0 110.394 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.54 HH21 ' HE ' ' A' ' 22' ' ' ARG . 40.9 ptt85 -69.68 -19.41 63.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.932 -1.105 . . . . 0.0 109.019 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -82.14 -1.04 47.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.418 -0.802 . . . . 0.0 109.246 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.72 23.58 59.77 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.4 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 14.5 t0 -59.54 -40.49 87.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.229 -1.159 . . . . 0.0 109.222 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.517 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.3 m -65.42 -20.31 66.31 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.34 -0.85 . . . . 0.0 108.818 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -96.18 -1.12 48.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.515 -0.74 . . . . 0.0 110.135 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -98.7 114.28 26.71 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.011 -1.055 . . . . 0.0 109.057 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.56 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.1 m-20 -56.94 -34.38 67.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 109.547 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.55 -23.21 65.4 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.514 -0.741 . . . . 0.0 109.896 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 19.5 mttt -109.8 -1.71 17.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.116 -0.99 . . . . 0.0 109.762 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 32' ' ' ASP . 15.5 mt -56.4 -44.05 79.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.124 -0.985 . . . . 0.0 109.717 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.65 -40.41 92.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.124 -0.985 . . . . 0.0 109.006 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -59.65 -39.56 84.83 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.352 -0.842 . . . . 0.0 109.098 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.528 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.22 -46.7 63.99 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.203 -0.936 . . . . 0.0 109.73 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.59 -28.28 56.01 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 33.7 t80 -94.44 -56.81 2.68 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.778 -0.836 . . . . 0.0 110.065 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.559 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 84.4 m-85 -77.28 -42.85 35.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.0 111.298 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.505 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -139.63 71.34 37.4 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 120.504 -1.373 . . . . 0.0 111.488 -178.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.12 -34.8 27.23 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.514 2.143 . . . . 0.0 111.571 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.2 t -77.69 -43.87 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.517 -0.739 . . . . 0.0 109.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.8 m -59.4 -39.24 82.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.419 -0.801 . . . . 0.0 110.908 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 64.4 m -86.65 -0.48 56.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.994 -1.066 . . . . 0.0 110.881 -178.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.11 36.95 33.81 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.68 -1.248 . . . . 0.0 110.461 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.4 m-30 -106.75 -11.23 15.85 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.961 -1.317 . . . . 0.0 108.561 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.301 -1.534 0 O-C-N 121.523 -0.736 . . . . 0.0 109.421 179.323 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.477 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 85.7 m-20 -70.27 139.51 52.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.197 -0.939 . . . . 0.0 109.408 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -61.34 141.05 57.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.077 -1.014 . . . . 0.0 109.625 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -85.48 -24.66 27.28 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.435 -0.79 . . . . 0.0 109.845 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.79 -2.92 58.84 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.272 -0.893 . . . . 0.0 109.648 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -112.97 136.0 53.12 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.441 -0.787 . . . . 0.0 109.422 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -82.73 84.98 7.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.127 -0.983 . . . . 0.0 109.193 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -69.29 -37.07 77.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.218 -0.926 . . . . 0.0 109.541 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -58.83 -45.62 89.58 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 13.4 ttt180 -70.1 -44.59 68.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.339 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.0 m -64.16 -36.64 84.72 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.346 -0.847 . . . . 0.0 109.538 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.4 tp -63.32 -49.05 75.48 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.143 -0.973 . . . . 0.0 110.304 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 28.5 ptt180 -68.13 -23.55 64.91 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.11 -0.994 . . . . 0.0 109.094 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -77.1 -2.16 32.79 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.66 20.85 67.68 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 108.871 -1.692 . . . . 0.0 108.871 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 14.5 t0 -57.94 -39.68 78.65 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.389 -1.065 . . . . 0.0 109.195 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.59 ' SG ' HD12 ' A' ' 24' ' ' LEU . 34.2 m -66.31 -19.53 65.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.876 . . . . 0.0 108.684 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -98.28 2.35 48.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.481 -0.762 . . . . 0.0 110.27 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.503 HD22 ' HE3' ' A' ' 34' ' ' LYS . 55.0 t-20 -100.4 116.66 32.89 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.126 -0.983 . . . . 0.0 109.671 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.633 ' HA ' HD12 ' A' ' 35' ' ' LEU . 82.4 m-20 -57.5 -34.82 69.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.397 -0.814 . . . . 0.0 108.938 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -66.35 -27.92 68.26 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.63 -0.668 . . . . 0.0 110.196 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.503 ' HE3' HD22 ' A' ' 31' ' ' ASN . 65.4 mttt -108.37 -2.71 18.91 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.099 -1.0 . . . . 0.0 110.019 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.1 mt -51.79 -44.74 63.55 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.201 -0.937 . . . . 0.0 109.239 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.84 -38.35 83.07 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.195 -0.94 . . . . 0.0 109.259 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.75 -39.43 88.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.199 -0.938 . . . . 0.0 109.074 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.6 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -71.16 -47.93 54.84 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.219 -0.925 . . . . 0.0 109.852 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.51 -28.82 45.98 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.504 -1.838 . . . . 0.0 108.504 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -94.96 -56.93 2.58 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.545 -0.973 . . . . 0.0 110.321 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.543 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 69.5 m-85 -74.84 -40.29 61.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.179 -0.95 . . . . 0.0 111.249 -178.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.1 m -142.28 69.97 22.19 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 120.707 -1.246 . . . . 0.0 111.094 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -65.46 -33.45 46.76 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.595 2.197 . . . . 0.0 111.735 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.6 t -80.5 -43.85 21.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.488 -0.758 . . . . 0.0 110.34 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.477 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 41.6 m -59.46 -38.53 80.99 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.255 -0.903 . . . . 0.0 110.711 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.6 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 93.2 m -85.96 -11.5 52.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.922 -1.111 . . . . 0.0 110.613 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.53 41.01 7.51 Favored Glycine 0 N--CA 1.491 2.32 0 C-N-CA 119.734 -1.222 . . . . 0.0 111.854 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.549 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 38.1 m-85 -108.12 -15.93 14.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.829 -1.395 . . . . 0.0 108.059 177.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.299 -1.591 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.92 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 121.317 0.58 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.516 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 51.6 p30 -65.64 142.28 58.11 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.358 -0.838 . . . . 0.0 109.399 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.36 138.18 57.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.149 -0.969 . . . . 0.0 109.393 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.639 ' HZ3' ' ND2' ' A' ' 17' ' ' ASN . 2.6 pttm -85.41 -21.13 28.92 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.332 -0.855 . . . . 0.0 109.241 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.639 ' ND2' ' HZ3' ' A' ' 16' ' ' LYS . 34.2 m120 -90.05 -9.88 46.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.303 -0.873 . . . . 0.0 109.471 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -111.11 135.42 51.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.41 -0.806 . . . . 0.0 108.965 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -80.63 84.85 6.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.025 -1.047 . . . . 0.0 109.426 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 m -66.66 -33.34 75.43 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.354 -0.841 . . . . 0.0 109.106 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.533 HH12 ' NH1' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -61.69 -48.28 81.49 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.608 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 13.5 ttt180 -66.66 -46.83 74.44 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.385 -0.822 . . . . 0.0 109.858 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -63.79 -37.04 85.91 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.14 -0.975 . . . . 0.0 109.182 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.571 HD12 ' SG ' ' A' ' 29' ' ' CYS . 32.0 tp -63.08 -50.24 71.34 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.204 -0.935 . . . . 0.0 110.267 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.533 ' NH1' HH12 ' A' ' 21' ' ' ARG . 41.1 ptt180 -65.98 -21.94 66.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.064 -1.022 . . . . 0.0 108.818 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -79.95 -2.35 43.52 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.569 -0.707 . . . . 0.0 109.248 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.41 21.29 64.87 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.414 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 10.1 t0 -58.25 -39.36 78.95 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.399 -1.06 . . . . 0.0 109.292 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.571 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.9 m -67.11 -21.01 65.87 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.309 -0.87 . . . . 0.0 108.668 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -95.13 -0.65 53.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.436 -0.79 . . . . 0.0 109.844 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.427 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 64.5 t-20 -96.72 115.67 27.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.091 -1.005 . . . . 0.0 108.979 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.563 ' HA ' HD12 ' A' ' 35' ' ' LEU . 82.3 m-20 -59.16 -32.95 70.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.201 -0.937 . . . . 0.0 108.938 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 63.7 t0 -67.93 -21.99 65.08 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.552 -0.717 . . . . 0.0 110.097 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HG3' ' ND2' ' A' ' 31' ' ' ASN . 18.9 mttt -112.29 -2.13 14.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.986 -1.071 . . . . 0.0 110.051 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.8 mt -54.6 -48.22 72.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.982 -1.074 . . . . 0.0 109.409 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.6 -39.27 93.43 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.351 -0.843 . . . . 0.0 108.853 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.33 -40.04 89.2 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.531 -0.73 . . . . 0.0 109.051 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.503 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.58 -45.62 65.02 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.245 -0.909 . . . . 0.0 109.6 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.07 -26.4 55.65 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 108.31 -1.916 . . . . 0.0 108.31 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -92.47 -54.01 3.97 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.713 -0.874 . . . . 0.0 110.247 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -82.32 -49.57 9.89 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 111.191 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.1 m -130.92 71.08 82.6 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.854 -1.154 . . . . 0.0 111.494 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.85 -33.02 28.01 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.574 2.183 . . . . 0.0 111.359 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.3 t -79.04 -44.82 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.334 -0.854 . . . . 0.0 109.753 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.2 m -59.4 -37.78 78.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.298 -0.876 . . . . 0.0 110.901 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 61.4 m -86.1 -4.0 59.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.917 -1.114 . . . . 0.0 110.455 -178.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.59 36.74 22.25 Favored Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.798 -1.191 . . . . 0.0 111.19 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -106.03 -12.15 15.89 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.992 -1.299 . . . . 0.0 108.158 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.79 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.599 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 52.9 p30 -74.05 140.25 45.25 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.168 -0.958 . . . . 0.0 108.965 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 137.35 58.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.019 -1.051 . . . . 0.0 109.702 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -83.97 -24.36 30.67 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 109.395 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -89.54 -6.18 56.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.66 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -111.27 136.21 50.7 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.35 -0.844 . . . . 0.0 109.239 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -81.92 85.06 6.75 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.278 -0.889 . . . . 0.0 109.058 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.2 m -67.08 -34.42 77.61 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -61.39 -47.89 83.73 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.527 0.679 . . . . 0.0 109.244 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 23.4 ttt-85 -68.41 -45.54 72.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.251 -0.906 . . . . 0.0 109.348 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m -63.06 -35.23 79.56 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.392 -0.818 . . . . 0.0 109.41 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.594 HD12 ' SG ' ' A' ' 29' ' ' CYS . 33.8 tp -65.8 -50.36 64.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.213 -0.929 . . . . 0.0 110.31 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 22.4 ptt180 -67.59 -21.45 65.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.165 -0.959 . . . . 0.0 109.109 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -78.69 -3.2 42.94 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.41 -0.806 . . . . 0.0 108.918 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.01 21.42 61.17 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.0 t0 -58.38 -41.24 84.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -1.12 . . . . 0.0 109.59 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.594 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.1 m -65.01 -20.23 66.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.17 -0.956 . . . . 0.0 109.013 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.479 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 59.8 t0 -96.67 -0.61 48.16 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.439 -0.788 . . . . 0.0 110.136 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.501 HD22 ' HE3' ' A' ' 34' ' ' LYS . 57.4 t-20 -98.25 116.32 30.22 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.114 -0.991 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 35' ' ' LEU . 79.3 m-20 -58.14 -33.53 69.28 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.305 -0.872 . . . . 0.0 108.998 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -67.53 -23.17 65.41 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.625 -0.672 . . . . 0.0 109.981 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.501 ' HE3' HD22 ' A' ' 31' ' ' ASN . 74.5 mttt -113.11 1.49 15.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.067 -1.021 . . . . 0.0 109.775 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.509 HD21 ' O ' ' A' ' 29' ' ' CYS . 13.8 mt -58.71 -43.79 90.18 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.969 -1.082 . . . . 0.0 109.193 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.22 -38.8 88.8 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.323 -0.861 . . . . 0.0 108.705 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -60.7 -40.15 91.19 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.364 -0.835 . . . . 0.0 109.188 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.528 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.38 -47.94 58.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.412 -0.805 . . . . 0.0 109.935 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.23 -29.31 56.16 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.466 -1.854 . . . . 0.0 108.466 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 26.0 t80 -93.09 -51.55 4.99 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.542 -0.975 . . . . 0.0 110.351 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -81.1 -51.82 8.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.199 -0.938 . . . . 0.0 111.027 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.6 m -131.52 72.04 80.8 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 120.805 -1.185 . . . . 0.0 110.976 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.32 -32.77 32.05 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.61 2.207 . . . . 0.0 111.378 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.8 -44.63 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.583 -0.698 . . . . 0.0 109.732 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.3 m -60.15 -37.99 81.79 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.337 -0.852 . . . . 0.0 111.177 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 65.6 m -86.22 -4.43 59.17 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.871 -1.143 . . . . 0.0 110.783 -178.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.31 35.79 22.5 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.78 -1.2 . . . . 0.0 111.088 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.0 m-30 -107.25 -11.11 15.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.005 -1.291 . . . . 0.0 108.316 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.3 -1.573 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.231 179.784 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 121.106 0.479 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.498 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 84.4 m-20 -67.02 134.71 52.48 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.126 -0.984 . . . . 0.0 109.192 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.547 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -60.52 139.17 57.87 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.177 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -80.95 -28.23 35.76 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.885 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -87.07 -1.56 57.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.229 -0.919 . . . . 0.0 110.111 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -113.32 131.56 55.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.186 -0.946 . . . . 0.0 108.858 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -80.68 85.86 5.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.251 -0.906 . . . . 0.0 108.986 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.426 ' HB3' HG21 ' A' ' 45' ' ' THR . 10.5 m -68.99 -35.11 76.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.507 -0.746 . . . . 0.0 109.664 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.48 -47.91 84.06 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.767 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.558 ' HG3' HD21 ' A' ' 26' ' ' ASN . 6.6 ttp180 -69.4 -46.22 67.38 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.454 -0.779 . . . . 0.0 109.644 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 m -61.91 -37.11 83.39 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.265 -0.897 . . . . 0.0 109.047 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.683 HD12 ' SG ' ' A' ' 29' ' ' CYS . 24.8 tp -63.67 -49.48 73.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.388 -0.82 . . . . 0.0 110.41 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 43.5 ptt85 -68.5 -19.86 64.55 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.131 -0.981 . . . . 0.0 108.392 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.558 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.5 m-20 -80.2 -1.75 41.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.487 -0.758 . . . . 0.0 109.623 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.45 21.94 63.48 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.254 -1.539 . . . . 0.0 109.254 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.469 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 17.0 t0 -61.28 -41.43 96.93 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.292 -1.122 . . . . 0.0 109.632 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.683 ' SG ' HD12 ' A' ' 24' ' ' LEU . 41.0 m -64.56 -19.28 65.54 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.066 -1.021 . . . . 0.0 109.126 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -97.59 0.74 47.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.542 -0.724 . . . . 0.0 110.408 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -99.57 113.98 26.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.972 -1.08 . . . . 0.0 109.896 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.61 ' HA ' HD12 ' A' ' 35' ' ' LEU . 83.7 m-20 -56.35 -32.95 65.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.329 -0.857 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -69.46 -21.83 63.68 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.45 -0.781 . . . . 0.0 110.399 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 15.8 mttt -112.51 -2.43 14.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.954 -1.091 . . . . 0.0 109.712 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.8 mt -55.73 -42.96 76.11 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.044 -1.035 . . . . 0.0 109.33 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.58 -39.15 91.29 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.081 -1.012 . . . . 0.0 108.762 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -61.74 -39.35 91.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.41 -0.806 . . . . 0.0 109.14 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.547 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.6 mmt -70.17 -44.93 67.76 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.3 -0.875 . . . . 0.0 109.904 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.3 -27.17 65.01 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.707 -1.757 . . . . 0.0 108.707 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 27.6 t80 -94.57 -52.62 4.23 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.688 -0.89 . . . . 0.0 110.097 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.547 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 66.4 m-85 -79.05 -49.99 11.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.185 -0.947 . . . . 0.0 110.813 -178.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.0 m -137.25 74.63 48.23 Favored Pre-proline 0 N--CA 1.488 1.449 0 O-C-N 120.538 -1.351 . . . . 0.0 111.173 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.6 -32.62 30.6 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.456 2.104 . . . . 0.0 111.127 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.0 t -77.97 -42.41 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.468 -0.77 . . . . 0.0 109.406 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.498 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 68.7 m -59.18 -39.44 82.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.443 -0.786 . . . . 0.0 110.463 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.547 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 62.5 m -86.43 -4.82 59.24 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.092 -1.005 . . . . 0.0 110.95 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.91 36.33 19.09 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.823 -1.18 . . . . 0.0 110.792 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.6 m-30 -106.18 -12.33 15.77 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.215 -1.168 . . . . 0.0 107.92 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.301 -1.532 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.406 179.431 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 121.37 0.605 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.484 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 95.3 m-20 -68.46 133.07 48.07 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.317 -0.864 . . . . 0.0 109.406 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.63 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -59.52 139.94 56.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.38 -0.825 . . . . 0.0 109.166 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.734 ' NZ ' HD21 ' A' ' 17' ' ' ASN . 1.3 pttm -86.07 -20.35 28.89 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.301 -0.875 . . . . 0.0 109.498 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.734 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 67.7 m-80 -88.61 -5.17 58.33 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.907 . . . . 0.0 109.401 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -115.12 134.41 55.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.324 -0.86 . . . . 0.0 109.69 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -79.41 85.26 5.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.319 -0.863 . . . . 0.0 108.903 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.6 m -68.17 -35.03 77.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.384 -0.823 . . . . 0.0 109.598 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.765 ' CZ ' HH21 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.5 -48.95 75.5 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.566 -0.709 . . . . 0.0 109.339 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 20.5 ttt-85 -66.13 -45.45 81.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 109.361 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -64.08 -35.83 82.03 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.453 -0.779 . . . . 0.0 109.42 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.585 HD12 ' SG ' ' A' ' 29' ' ' CYS . 31.3 tp -64.33 -48.14 76.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.3 -0.875 . . . . 0.0 110.158 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.765 HH21 ' CZ ' ' A' ' 21' ' ' ARG . 8.8 ptp180 -66.3 -24.21 66.51 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.039 -1.038 . . . . 0.0 108.678 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -77.8 -4.51 46.83 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.624 -0.672 . . . . 0.0 109.2 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.6 20.32 62.09 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 11.1 t0 -56.55 -39.8 74.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.265 -1.138 . . . . 0.0 109.597 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.585 ' SG ' HD12 ' A' ' 24' ' ' LEU . 33.1 m -66.22 -21.08 66.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.156 -0.965 . . . . 0.0 108.84 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -94.89 -0.73 53.74 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.396 -0.815 . . . . 0.0 110.098 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -98.96 113.55 25.76 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.038 -1.039 . . . . 0.0 109.284 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.515 ' HA ' HD12 ' A' ' 35' ' ' LEU . 79.0 m-20 -56.16 -34.49 66.21 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.267 -0.896 . . . . 0.0 108.905 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.32 -23.02 66.29 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.557 -0.714 . . . . 0.0 109.997 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -112.52 0.06 15.38 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.114 -0.991 . . . . 0.0 109.882 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.537 HD21 ' O ' ' A' ' 29' ' ' CYS . 14.7 mt -57.66 -44.0 85.39 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.99 -1.068 . . . . 0.0 109.127 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.21 -38.89 91.87 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.212 -0.93 . . . . 0.0 108.731 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.22 -41.41 93.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.344 -0.847 . . . . 0.0 108.956 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.563 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.63 -46.75 62.73 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.512 -0.743 . . . . 0.0 110.168 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.56 -27.32 54.25 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 108.434 -1.866 . . . . 0.0 108.434 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 27.1 t80 -95.31 -53.35 3.8 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.775 -0.838 . . . . 0.0 110.231 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.536 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 73.1 m-85 -79.9 -45.44 18.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.394 -0.816 . . . . 0.0 111.478 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.4 m -137.49 69.21 53.74 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 120.715 -1.241 . . . . 0.0 111.051 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.07 -32.14 53.72 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.289 1.993 . . . . 0.0 111.273 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.9 t -79.95 -45.92 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.471 -0.768 . . . . 0.0 109.989 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.484 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 41.2 m -56.56 -38.47 71.98 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.12 -0.988 . . . . 0.0 110.547 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.563 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 85.6 m -86.32 -8.41 57.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.118 -0.989 . . . . 0.0 110.598 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.96 35.03 16.6 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.689 -1.244 . . . . 0.0 111.375 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -103.62 -11.09 17.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.951 -1.323 . . . . 0.0 107.8 178.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.299 -1.624 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.674 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.418 0.628 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.507 ' OD2' ' OG1' ' A' ' 45' ' ' THR . 86.4 m-20 -70.64 140.9 51.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.249 -0.907 . . . . 0.0 108.953 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.601 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -60.79 140.24 57.67 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.207 -0.933 . . . . 0.0 109.633 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -83.13 -25.96 31.44 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.391 -0.818 . . . . 0.0 110.034 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -89.05 -3.75 58.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.178 -0.951 . . . . 0.0 110.07 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.431 ' HE1' ' HG ' ' A' ' 23' ' ' SER . 39.8 t80 -110.74 133.96 52.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.366 -0.834 . . . . 0.0 109.265 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -81.48 85.92 6.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.001 -1.062 . . . . 0.0 109.255 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.9 m -68.05 -35.63 78.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.294 -0.879 . . . . 0.0 109.625 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.6 -46.56 89.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.537 -0.727 . . . . 0.0 109.082 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.503 HH11 ' NH2' ' A' ' 25' ' ' ARG . 7.9 ttt85 -69.04 -45.34 70.66 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.245 -0.909 . . . . 0.0 109.494 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.431 ' HG ' ' HE1' ' A' ' 18' ' ' PHE . 65.0 m -64.62 -35.7 81.87 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.152 -0.967 . . . . 0.0 109.495 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.578 HD12 ' SG ' ' A' ' 29' ' ' CYS . 38.4 tp -65.21 -49.59 69.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.107 -0.996 . . . . 0.0 110.387 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.503 ' NH2' HH11 ' A' ' 22' ' ' ARG . 40.0 ptt85 -66.41 -23.81 66.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.005 -1.06 . . . . 0.0 109.052 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -78.27 -1.76 34.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.456 -0.778 . . . . 0.0 109.704 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.49 20.27 64.51 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 11.9 t0 -57.83 -40.19 79.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.33 -1.1 . . . . 0.0 109.628 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.578 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.6 m -66.19 -21.53 66.32 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.155 -0.966 . . . . 0.0 108.617 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -96.27 0.89 51.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.495 -0.753 . . . . 0.0 109.984 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.443 HD21 ' N ' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -98.44 115.56 28.79 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.219 -0.926 . . . . 0.0 108.864 179.78 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.631 ' HA ' HD12 ' A' ' 35' ' ' LEU . 84.1 m-20 -59.48 -33.15 70.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.213 -0.93 . . . . 0.0 108.925 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 48.2 t0 -67.2 -25.9 66.35 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.465 -0.772 . . . . 0.0 109.641 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 9.9 mttm -109.45 -0.45 18.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.133 -0.979 . . . . 0.0 109.585 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 32' ' ' ASP . 11.0 mt -55.97 -44.67 78.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.084 -1.01 . . . . 0.0 109.268 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.14 -37.85 86.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.35 -0.844 . . . . 0.0 109.116 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.34 -39.74 91.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.276 -0.89 . . . . 0.0 109.353 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.546 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.16 -47.4 61.78 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.38 -0.825 . . . . 0.0 110.203 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.29 -28.06 54.09 Favored Glycine 0 N--CA 1.487 2.083 0 N-CA-C 108.181 -1.968 . . . . 0.0 108.181 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 30.1 t80 -95.29 -53.97 3.58 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.602 -0.94 . . . . 0.0 110.697 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.528 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 70.4 m-85 -78.73 -46.55 18.71 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.251 -0.906 . . . . 0.0 110.749 -178.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.483 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.8 m -135.09 71.62 68.4 Favored Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 120.875 -1.141 . . . . 0.0 111.225 -178.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.31 -34.15 28.07 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.395 2.064 . . . . 0.0 111.637 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.1 t -79.95 -43.45 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.452 -0.78 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.507 ' OG1' ' OD2' ' A' ' 14' ' ' ASP . 33.8 m -59.3 -39.24 82.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.092 -1.005 . . . . 0.0 110.385 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.557 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 69.5 m -85.6 -10.65 55.55 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.992 -1.068 . . . . 0.0 110.127 -179.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.71 37.96 11.18 Favored Glycine 0 N--CA 1.494 2.504 0 O-C-N 120.92 -1.113 . . . . 0.0 112.132 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.557 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 35.7 m-85 -104.3 -14.96 15.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.684 -1.48 . . . . 0.0 107.445 177.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.302 -1.478 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.195 0.521 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.49 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 82.2 m-20 -71.61 137.52 48.01 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.192 -0.942 . . . . 0.0 108.953 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.623 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -61.31 138.75 58.24 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.824 -179.803 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -84.16 -24.14 30.32 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.528 -0.733 . . . . 0.0 109.8 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -86.86 -6.6 58.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.16 -0.963 . . . . 0.0 110.091 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -111.24 134.18 53.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.252 -0.905 . . . . 0.0 109.58 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -79.79 86.67 5.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.956 -1.09 . . . . 0.0 108.609 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.78 -33.72 68.83 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.451 -0.781 . . . . 0.0 109.84 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -62.66 -49.86 73.48 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.349 -0.844 . . . . 0.0 108.85 -179.825 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 19.4 ttt-85 -66.94 -44.42 80.67 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.201 -0.937 . . . . 0.0 109.567 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.8 m -63.18 -36.21 82.88 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.237 -0.914 . . . . 0.0 109.565 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.814 HD12 HG22 ' A' ' 45' ' ' THR . 5.1 tt -63.6 -50.17 70.44 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.911 -1.118 . . . . 0.0 110.193 -179.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 44.5 ptt85 -66.67 -23.81 66.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.885 -1.134 . . . . 0.0 108.796 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -75.16 -2.9 29.89 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.54 -0.725 . . . . 0.0 109.254 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.03 13.52 74.36 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -56.5 -40.72 75.45 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.994 -1.298 . . . . 0.0 109.16 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.427 ' O ' HD21 ' A' ' 35' ' ' LEU . 54.2 m -67.99 -22.01 65.03 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -96.72 2.64 52.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.578 -0.701 . . . . 0.0 110.195 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.49 HD22 ' HE3' ' A' ' 34' ' ' LYS . 55.5 t-20 -100.34 112.12 24.44 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.044 -1.035 . . . . 0.0 108.951 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.581 ' HA ' HD12 ' A' ' 35' ' ' LEU . 55.6 t0 -55.89 -34.13 65.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.312 -0.867 . . . . 0.0 109.491 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -65.89 -25.39 67.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.458 -0.776 . . . . 0.0 109.766 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HE3' HD22 ' A' ' 31' ' ' ASN . 26.3 mttt -109.9 -0.74 18.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.277 -0.889 . . . . 0.0 109.929 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.7 mt -56.69 -45.99 81.46 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.109 -0.994 . . . . 0.0 109.366 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.0 tt -65.16 -39.49 93.02 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.046 -1.034 . . . . 0.0 108.495 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.99 -39.84 91.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.342 -0.849 . . . . 0.0 109.291 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.55 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.3 mmt -70.43 -45.43 65.89 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.977 -1.077 . . . . 0.0 109.422 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.52 -25.59 42.69 Favored Glycine 0 N--CA 1.484 1.875 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 21.6 t80 -94.65 -53.6 3.82 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.579 -0.954 . . . . 0.0 110.318 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.536 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 63.9 m-85 -80.33 -47.21 14.84 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.0 -1.062 . . . . 0.0 111.25 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 m -134.18 71.05 73.34 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 120.837 -1.165 . . . . 0.0 111.204 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.32 -35.15 24.98 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.448 2.099 . . . . 0.0 111.946 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -77.83 -43.98 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.191 -0.943 . . . . 0.0 109.835 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.814 HG22 HD12 ' A' ' 24' ' ' LEU . 65.5 m -59.92 -37.79 80.47 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.392 -0.818 . . . . 0.0 110.897 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 97.3 m -86.57 0.05 55.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.893 -1.129 . . . . 0.0 110.621 -178.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.97 35.72 38.2 Favored Glycine 0 N--CA 1.495 2.59 0 C-N-CA 119.852 -1.166 . . . . 0.0 111.748 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 12.2 m-30 -108.12 -12.83 15.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.953 -1.322 . . . . 0.0 108.322 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.299 -1.611 0 O-C-N 121.397 -0.814 . . . . 0.0 109.497 179.496 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 121.258 0.551 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.482 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.5 m-20 -70.74 140.02 51.25 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.22 -0.925 . . . . 0.0 109.293 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.61 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -61.33 139.14 58.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.266 -0.896 . . . . 0.0 109.446 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -84.52 -25.62 28.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -0.827 . . . . 0.0 110.056 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -91.37 1.01 57.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 110.052 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -113.79 131.26 56.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.192 -0.943 . . . . 0.0 109.568 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -79.88 85.74 5.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.164 -0.96 . . . . 0.0 108.845 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.7 m -70.12 -34.62 73.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.429 -0.795 . . . . 0.0 109.757 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.432 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.18 -42.9 87.08 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 15.0 ttt-85 -68.17 -47.22 68.58 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.499 -0.751 . . . . 0.0 109.424 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 78.5 p -67.39 -34.79 78.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.449 -0.782 . . . . 0.0 108.973 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.649 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.1 tp -66.39 -48.7 69.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.29 -0.881 . . . . 0.0 110.384 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 35.0 ptt180 -69.53 -23.17 63.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.258 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -79.83 -1.37 38.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.481 -0.762 . . . . 0.0 109.39 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.52 23.43 58.37 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.855 -1.698 . . . . 0.0 108.855 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 23' ' ' SER . 16.4 t0 -60.96 -38.65 86.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.415 -1.05 . . . . 0.0 109.578 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.649 ' SG ' HD12 ' A' ' 24' ' ' LEU . 22.8 m -67.32 -18.72 65.29 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.213 -0.929 . . . . 0.0 108.599 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -96.79 1.6 50.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.573 -0.704 . . . . 0.0 110.033 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.414 HD22 ' HE3' ' A' ' 34' ' ' LYS . 55.8 t-20 -101.94 115.06 29.73 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.084 -1.01 . . . . 0.0 109.84 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.595 ' HA ' HD12 ' A' ' 35' ' ' LEU . 91.1 m-20 -56.31 -34.03 66.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.462 -0.774 . . . . 0.0 109.092 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -67.48 -24.05 65.55 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.644 -0.66 . . . . 0.0 109.781 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HE3' HD22 ' A' ' 31' ' ' ASN . 36.8 mttt -112.3 -0.4 15.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.182 -0.949 . . . . 0.0 109.908 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.7 mt -56.0 -44.29 78.51 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.086 -1.009 . . . . 0.0 109.26 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.7 -38.76 90.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.405 -0.809 . . . . 0.0 109.155 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -61.25 -39.73 91.43 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.475 -0.766 . . . . 0.0 109.189 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.55 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -71.41 -47.01 58.72 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.525 -0.734 . . . . 0.0 109.741 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.29 -28.55 50.44 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 108.341 -1.904 . . . . 0.0 108.341 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -94.93 -56.12 2.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.796 -0.826 . . . . 0.0 110.834 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.556 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 68.2 m-85 -76.23 -43.95 39.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 110.784 -178.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.457 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.3 m -140.45 72.76 30.98 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 120.685 -1.259 . . . . 0.0 110.974 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -66.9 -33.54 32.86 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 122.381 2.054 . . . . 0.0 111.406 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' HB ' ' OD1' ' A' ' 14' ' ' ASP . 94.3 t -80.25 -43.12 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.472 -0.767 . . . . 0.0 109.5 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.482 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 54.1 m -58.01 -38.82 76.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.263 -0.898 . . . . 0.0 110.605 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.4 m -86.83 -8.77 57.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.053 -1.029 . . . . 0.0 110.658 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.3 34.79 13.36 Favored Glycine 0 N--CA 1.493 2.453 0 C-N-CA 119.77 -1.205 . . . . 0.0 112.313 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 34.0 m-85 -102.97 -14.85 16.32 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.558 -1.554 . . . . 0.0 107.562 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.301 -1.524 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.535 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.297 0.57 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.489 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 87.0 m-20 -69.18 138.72 54.34 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 109.184 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.591 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -62.19 138.49 58.42 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.233 -0.917 . . . . 0.0 109.472 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 pttm -82.41 -29.22 30.91 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.211 -0.93 . . . . 0.0 109.623 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -86.47 -1.71 57.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.337 -0.852 . . . . 0.0 109.613 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -113.54 129.86 56.47 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.269 -0.894 . . . . 0.0 109.932 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -80.41 85.02 5.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 0.0 109.083 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.8 m -67.6 -35.8 79.67 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.646 0.736 . . . . 0.0 109.266 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.727 ' NH1' ' NH1' ' A' ' 25' ' ' ARG . 1.2 tmt_? -57.04 -42.19 80.04 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HG3' HD21 ' A' ' 26' ' ' ASN . 11.5 ttt180 -69.4 -47.18 64.99 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.493 -0.754 . . . . 0.0 109.646 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 79.4 p -66.45 -34.57 78.24 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.176 -0.952 . . . . 0.0 109.444 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD12 ' SG ' ' A' ' 29' ' ' CYS . 38.3 tp -67.63 -48.09 67.72 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.172 -0.955 . . . . 0.0 110.49 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.727 ' NH1' ' NH1' ' A' ' 21' ' ' ARG . 41.2 ptt180 -68.47 -22.79 64.55 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 108.992 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.489 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.2 m-20 -80.8 -0.67 39.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.437 -0.789 . . . . 0.0 109.286 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.02 23.4 63.78 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 23' ' ' SER . 13.8 t0 -60.06 -40.14 88.44 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.367 -1.078 . . . . 0.0 109.58 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.539 ' SG ' HD12 ' A' ' 24' ' ' LEU . 28.8 m -64.46 -19.96 65.88 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -95.98 -3.51 44.91 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.385 -0.822 . . . . 0.0 110.063 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -94.66 116.12 28.37 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.983 -1.073 . . . . 0.0 109.354 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.627 ' HA ' HD12 ' A' ' 35' ' ' LEU . 90.1 m-20 -57.57 -33.69 68.42 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.327 -0.858 . . . . 0.0 109.119 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.94 -27.19 67.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.478 -0.764 . . . . 0.0 109.957 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -107.63 -0.82 21.69 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.227 -0.921 . . . . 0.0 109.48 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 32' ' ' ASP . 10.3 mt -53.84 -47.98 70.41 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.482 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -65.17 -38.55 90.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.219 -0.926 . . . . 0.0 109.176 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -58.87 -40.5 84.53 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.365 -0.834 . . . . 0.0 109.483 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.588 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.1 mmt -70.28 -47.05 62.99 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.37 -0.831 . . . . 0.0 110.057 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.51 -28.25 50.59 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 40.7 t80 -94.75 -55.49 3.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.642 -0.917 . . . . 0.0 110.576 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.591 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 61.4 m-85 -76.03 -44.28 40.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.326 -0.859 . . . . 0.0 111.337 -178.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.6 m -139.89 69.73 36.23 Favored Pre-proline 0 C--N 1.3 -1.559 0 O-C-N 120.682 -1.261 . . . . 0.0 111.084 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.24 -33.09 61.22 Favored 'Trans proline' 0 C--N 1.301 -1.937 0 C-N-CA 122.465 2.11 . . . . 0.0 111.958 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.8 t -81.01 -42.61 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.142 -0.974 . . . . 0.0 109.973 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.489 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 62.4 m -59.51 -37.71 79.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.245 -0.909 . . . . 0.0 110.791 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.9 m -86.06 -9.76 56.17 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.878 -1.139 . . . . 0.0 110.74 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.09 35.0 10.09 Favored Glycine 0 N--CA 1.492 2.401 0 C-N-CA 119.638 -1.268 . . . . 0.0 111.891 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.494 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 46.0 m-85 -102.89 -16.19 15.96 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.668 -1.489 . . . . 0.0 107.527 178.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.302 -1.465 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.477 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.205 0.526 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.572 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 47.6 p30 -72.54 137.44 46.25 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.277 -0.889 . . . . 0.0 108.629 178.874 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.59 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -61.51 140.63 58.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.21 -0.931 . . . . 0.0 109.868 -179.05 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -87.76 -29.07 21.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.324 -0.86 . . . . 0.0 109.492 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -82.87 -4.93 58.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -110.94 133.75 53.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.832 . . . . 0.0 108.938 179.59 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -79.5 84.8 5.33 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.029 -1.045 . . . . 0.0 108.502 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -70.82 -36.15 72.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.373 -0.829 . . . . 0.0 109.292 -179.473 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.506 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.24 -46.21 90.55 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.435 -0.791 . . . . 0.0 108.97 179.758 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.753 ' HE ' HH21 ' A' ' 25' ' ' ARG . 11.5 ttm180 -69.69 -45.93 67.19 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.056 -1.028 . . . . 0.0 109.497 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -61.9 -36.09 80.28 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.33 -0.857 . . . . 0.0 109.277 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.619 HD12 ' SG ' ' A' ' 29' ' ' CYS . 35.9 tp -64.4 -50.35 67.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 0.0 110.408 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.753 HH21 ' HE ' ' A' ' 22' ' ' ARG . 27.1 ptt180 -67.32 -21.14 65.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.142 -0.974 . . . . 0.0 109.167 -179.597 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -79.01 -2.7 41.49 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.508 -0.745 . . . . 0.0 109.295 179.498 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.7 21.09 62.36 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.4 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 14.8 t0 -59.77 -40.4 88.09 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.225 -1.162 . . . . 0.0 109.796 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.619 ' SG ' HD12 ' A' ' 24' ' ' LEU . 28.8 m -66.39 -21.49 66.23 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.08 -1.013 . . . . 0.0 108.563 179.397 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.7 -0.51 54.27 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.352 -0.843 . . . . 0.0 109.846 -179.768 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -97.43 113.56 25.26 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.978 -1.076 . . . . 0.0 108.726 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.6 ' HA ' HD12 ' A' ' 35' ' ' LEU . 76.1 m-20 -57.4 -34.15 68.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.269 -0.894 . . . . 0.0 109.173 -179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -66.72 -25.36 66.49 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.386 -0.821 . . . . 0.0 109.763 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 62.5 mttt -109.1 0.28 19.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.052 -1.03 . . . . 0.0 109.592 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.1 mt -57.01 -45.14 83.25 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.136 -0.978 . . . . 0.0 109.346 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.36 -39.38 92.26 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 0.0 108.811 178.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -59.67 -39.59 84.97 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.322 -0.861 . . . . 0.0 109.18 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.589 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -70.71 -45.27 65.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.475 -0.766 . . . . 0.0 110.106 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.77 -28.66 60.59 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 179.432 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -93.81 -54.25 3.69 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.889 -0.771 . . . . 0.0 110.471 -179.649 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.59 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 63.9 m-85 -77.53 -48.86 15.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.128 -0.982 . . . . 0.0 110.957 -179.1 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.4 m -136.32 73.52 56.74 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 120.69 -1.256 . . . . 0.0 111.107 -178.827 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.1 -35.85 23.85 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.575 2.183 . . . . 0.0 111.647 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.18 -42.85 37.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.47 0.652 . . . . 0.0 109.495 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.1 m -59.39 -39.27 82.85 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.324 -0.86 . . . . 0.0 110.601 -179.269 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 75.6 m -86.9 -1.27 57.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.217 -0.927 . . . . 0.0 110.482 -178.553 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.15 36.13 36.17 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.906 178.671 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.1 m-30 -105.14 -12.61 16.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.976 -1.309 . . . . 0.0 108.027 178.605 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.298 -1.662 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.321 179.544 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.56 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 47.8 p30 -74.11 151.95 40.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.267 -0.896 . . . . 0.0 108.809 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.3 132.2 46.06 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.018 -1.051 . . . . 0.0 110.018 -179.484 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -79.85 -23.81 41.72 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.261 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -90.41 -9.9 45.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.59 -0.694 . . . . 0.0 110.058 -179.398 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -108.6 129.97 55.31 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 179.269 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -76.48 84.97 3.2 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.137 -0.977 . . . . 0.0 109.452 -179.68 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.4 m -67.86 -34.46 76.74 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.35 -45.25 88.53 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.391 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 15.1 ttt-85 -66.31 -46.06 78.22 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.407 -0.808 . . . . 0.0 109.697 179.432 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.3 p -68.22 -34.1 75.63 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.186 -0.946 . . . . 0.0 109.532 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.644 HD12 ' SG ' ' A' ' 29' ' ' CYS . 27.7 tp -66.09 -49.7 66.66 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.2 -0.937 . . . . 0.0 110.536 -179.559 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 23.0 ptt180 -67.09 -20.74 65.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.111 -0.993 . . . . 0.0 109.287 -179.444 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -82.27 -2.3 52.17 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.537 -0.727 . . . . 0.0 109.337 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.48 21.49 62.08 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.422 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.0 t0 -57.73 -39.63 77.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.294 -1.121 . . . . 0.0 109.384 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 24' ' ' LEU . 33.6 m -64.47 -21.58 66.71 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.23 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -96.86 -1.13 46.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.657 -0.652 . . . . 0.0 110.098 -179.441 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.439 HD22 ' HE2' ' A' ' 34' ' ' LYS . 57.0 t-20 -95.84 114.1 25.79 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.094 -1.004 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.606 ' HA ' HD12 ' A' ' 35' ' ' LEU . 93.2 m-20 -56.64 -34.3 67.17 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.192 -0.942 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.476 ' OD1' ' O ' ' A' ' 33' ' ' ASP . 66.5 t0 -67.22 -22.4 65.71 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.44 -0.788 . . . . 0.0 110.01 -179.555 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HE2' HD22 ' A' ' 31' ' ' ASN . 13.2 mttm -112.96 -1.05 14.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.151 -0.968 . . . . 0.0 109.816 -179.286 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.2 mt -54.09 -45.83 71.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.079 -1.013 . . . . 0.0 109.433 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.05 -37.22 83.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.255 -0.903 . . . . 0.0 109.324 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.19 -39.45 92.78 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.192 -0.943 . . . . 0.0 109.28 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.537 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.99 -48.81 51.17 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.44 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.61 -28.03 44.24 Favored Glycine 0 N--CA 1.482 1.76 0 N-CA-C 108.391 -1.884 . . . . 0.0 108.391 179.475 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -94.51 -56.04 2.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.62 -0.929 . . . . 0.0 110.399 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -77.67 -45.21 25.61 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.099 -1.001 . . . . 0.0 110.917 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.466 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.1 m -134.56 71.14 71.61 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 120.854 -1.154 . . . . 0.0 111.442 -178.681 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.08 -33.29 32.22 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.378 2.052 . . . . 0.0 111.435 178.847 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.33 -45.48 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.374 -0.829 . . . . 0.0 110.101 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.0 m -57.84 -38.71 76.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.232 -0.918 . . . . 0.0 110.457 -179.005 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 65.1 m -86.04 -11.53 52.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.942 -1.098 . . . . 0.0 110.469 -179.085 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.71 35.97 10.98 Favored Glycine 0 N--CA 1.494 2.524 0 C-N-CA 119.807 -1.187 . . . . 0.0 112.098 178.198 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 46' ' ' CYS . 47.7 m-85 -102.31 -14.93 16.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.626 -1.514 . . . . 0.0 107.696 177.931 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.299 -1.592 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.75 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 121.234 0.54 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.493 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 78.5 m-20 -72.51 138.44 46.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.129 -0.982 . . . . 0.0 109.06 179.514 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.553 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -57.2 139.54 52.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.938 . . . . 0.0 109.318 -179.85 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -85.71 -25.61 26.39 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.446 -0.784 . . . . 0.0 109.619 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -88.95 -2.74 58.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.298 -0.876 . . . . 0.0 109.614 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -113.09 129.03 56.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -0.886 . . . . 0.0 109.403 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 25.7 p30 -77.96 84.95 4.22 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.229 -0.919 . . . . 0.0 109.056 179.361 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.498 ' HB3' HG21 ' A' ' 45' ' ' THR . 22.7 m -68.0 -33.57 74.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.294 -0.879 . . . . 0.0 109.47 -179.647 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.92 -43.68 91.17 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.394 -0.816 . . . . 0.0 108.863 -179.84 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.69 ' CZ ' HH21 ' A' ' 25' ' ' ARG . 14.6 ttm-85 -68.78 -47.48 66.06 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.367 -0.833 . . . . 0.0 109.417 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.6 p -64.85 -36.03 83.04 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.381 -0.824 . . . . 0.0 109.211 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.596 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.5 tp -63.9 -50.48 68.55 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 110.238 -179.851 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.69 HH21 ' CZ ' ' A' ' 22' ' ' ARG . 47.1 ptt85 -67.63 -21.94 65.36 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.061 -1.024 . . . . 0.0 109.074 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.549 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.3 m-20 -79.86 -2.57 44.13 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.456 -0.778 . . . . 0.0 109.265 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.09 21.16 61.47 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.5 t0 -58.69 -38.92 79.28 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.166 -1.196 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.596 ' SG ' HD12 ' A' ' 24' ' ' LEU . 48.6 m -66.35 -18.24 65.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.147 -0.971 . . . . 0.0 108.774 179.311 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -98.92 -1.39 40.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.372 -0.83 . . . . 0.0 110.019 -179.612 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.51 HD22 ' HE3' ' A' ' 34' ' ' LYS . 53.2 t-20 -96.9 113.84 25.42 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.231 -0.918 . . . . 0.0 109.133 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.588 ' HA ' HD12 ' A' ' 35' ' ' LEU . 72.3 m-20 -56.41 -33.56 65.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.216 -0.928 . . . . 0.0 109.6 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -66.99 -24.59 66.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.24 -0.913 . . . . 0.0 110.125 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HE3' HD22 ' A' ' 31' ' ' ASN . 42.0 mttt -109.07 -5.57 15.97 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.138 -0.976 . . . . 0.0 109.779 -178.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.8 mt -52.37 -46.35 66.14 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.278 -0.889 . . . . 0.0 109.199 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -66.66 -40.25 88.54 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.289 -0.882 . . . . 0.0 109.256 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.75 -38.33 84.8 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.336 -0.852 . . . . 0.0 109.285 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.544 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.4 mmt -70.87 -46.32 62.85 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.297 -0.877 . . . . 0.0 109.834 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.87 -23.39 45.18 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 107.567 -2.213 . . . . 0.0 107.567 179.281 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 34.1 t80 -95.06 -57.22 2.49 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.935 -0.744 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.553 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 65.8 m-85 -78.67 -45.01 22.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.298 -0.876 . . . . 0.0 111.281 -178.778 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.3 m -136.82 74.33 51.68 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 120.72 -1.238 . . . . 0.0 110.845 -178.765 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.15 -35.07 20.5 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.394 2.063 . . . . 0.0 111.54 179.299 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.429 ' HB ' ' OD1' ' A' ' 14' ' ' ASP . 87.2 t -78.47 -43.98 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 109.122 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 20' ' ' CYS . 52.9 m -54.81 -40.95 70.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.335 -0.853 . . . . 0.0 110.309 -179.544 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.544 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.2 m -87.03 -1.86 58.2 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.121 -0.987 . . . . 0.0 110.564 -178.894 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.4 34.78 39.32 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.042 178.698 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.5 m-30 -103.73 -10.5 18.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.936 -1.332 . . . . 0.0 107.943 178.54 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.3 -1.575 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.261 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.586 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.2 p30 -76.09 141.91 41.87 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.149 -0.97 . . . . 0.0 108.903 179.363 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -64.0 137.75 58.14 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.231 -0.918 . . . . 0.0 109.897 -179.23 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -84.15 -30.72 25.64 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.397 -0.815 . . . . 0.0 109.665 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -83.19 -5.26 59.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 0.0 109.918 -179.501 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -112.2 131.96 55.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.447 -0.783 . . . . 0.0 109.122 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -80.96 87.93 5.95 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.347 -0.846 . . . . 0.0 109.433 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.8 m -70.29 -37.93 74.93 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.207 -0.933 . . . . 0.0 109.621 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -55.22 -42.36 73.25 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.73 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.665 HH11 ' NH2' ' A' ' 25' ' ' ARG . 13.1 ttt85 -69.67 -47.71 62.34 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.546 -0.721 . . . . 0.0 109.562 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 82.9 p -65.89 -34.02 77.18 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.413 -0.804 . . . . 0.0 109.367 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.673 HD12 ' SG ' ' A' ' 29' ' ' CYS . 22.0 tp -66.99 -50.42 62.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.344 -0.847 . . . . 0.0 110.246 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.665 ' NH2' HH11 ' A' ' 22' ' ' ARG . 34.3 ptt85 -66.33 -24.64 66.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.131 -0.981 . . . . 0.0 108.994 -179.731 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.477 HD22 ' NH1' ' A' ' 25' ' ' ARG . 10.8 m120 -78.59 -2.79 40.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.434 -0.791 . . . . 0.0 109.829 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.61 21.4 60.02 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 23' ' ' SER . 17.5 t0 -60.16 -39.91 88.05 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.341 -1.094 . . . . 0.0 109.618 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.673 ' SG ' HD12 ' A' ' 24' ' ' LEU . 38.6 m -65.22 -19.63 66.06 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.139 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -97.95 -2.89 39.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.462 -0.774 . . . . 0.0 110.226 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -95.07 115.55 27.57 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.169 -0.957 . . . . 0.0 108.853 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.565 ' HA ' HD12 ' A' ' 35' ' ' LEU . 83.7 m-20 -58.37 -31.71 67.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.836 . . . . 0.0 109.543 -179.657 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.3 -22.64 62.81 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.461 -0.774 . . . . 0.0 110.365 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 24.4 mttt -110.66 1.05 17.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.078 -1.014 . . . . 0.0 109.634 -179.571 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.1 mt -58.57 -42.7 88.57 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.262 -0.899 . . . . 0.0 109.085 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.2 -40.62 94.42 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.26 -0.9 . . . . 0.0 108.777 179.121 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.16 -41.32 96.56 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.513 -0.742 . . . . 0.0 109.077 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.585 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -67.78 -47.34 69.43 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.341 -0.849 . . . . 0.0 110.177 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.66 -27.1 60.96 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.604 -1.799 . . . . 0.0 108.604 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 34.1 t80 -94.74 -53.1 3.99 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.87 -0.782 . . . . 0.0 110.177 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.581 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 67.5 m-85 -79.34 -46.46 17.63 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.396 -0.815 . . . . 0.0 110.931 -179.104 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -137.96 72.1 47.95 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 120.669 -1.269 . . . . 0.0 111.335 -178.784 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.73 -34.2 41.53 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.346 2.031 . . . . 0.0 111.291 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.3 t -78.37 -43.11 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.434 -0.791 . . . . 0.0 109.93 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.7 m -59.19 -39.62 83.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.505 -0.747 . . . . 0.0 110.723 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.585 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 68.5 m -86.88 -4.43 59.18 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.071 -1.018 . . . . 0.0 110.485 -178.61 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.93 34.88 29.34 Favored Glycine 0 N--CA 1.49 2.265 0 C-N-CA 119.701 -1.238 . . . . 0.0 111.089 178.477 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -104.39 -9.73 18.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.811 -1.405 . . . . 0.0 107.937 178.487 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.301 -1.53 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.481 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.367 0.603 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.501 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 86.2 m-20 -70.86 135.6 48.15 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.116 -0.99 . . . . 0.0 109.398 179.21 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.659 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -59.49 139.45 57.11 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.208 -0.932 . . . . 0.0 109.634 -179.761 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -88.13 -25.18 23.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.378 -0.826 . . . . 0.0 110.279 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -86.85 -4.93 59.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.98 -1.075 . . . . 0.0 109.405 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -114.74 130.27 56.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.461 -0.775 . . . . 0.0 109.442 179.734 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -77.39 85.82 3.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.265 -0.897 . . . . 0.0 109.639 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.1 m -67.23 -35.14 78.96 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 109.2 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.49 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -57.68 -41.14 81.01 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.555 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 12.8 ttm-85 -70.74 -47.56 59.04 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.348 -0.845 . . . . 0.0 109.609 179.384 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.7 p -66.15 -34.86 79.01 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.264 -0.897 . . . . 0.0 109.539 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.593 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.2 tp -64.94 -47.93 75.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.226 -0.921 . . . . 0.0 110.295 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 23.8 ptt180 -69.8 -22.9 63.28 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.22 -0.925 . . . . 0.0 109.22 -179.625 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -78.5 -2.17 37.36 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.535 -0.728 . . . . 0.0 109.078 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.54 21.33 62.24 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 10.8 t0 -59.32 -39.92 84.63 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.363 -1.081 . . . . 0.0 109.886 -179.617 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.593 ' SG ' HD12 ' A' ' 24' ' ' LEU . 35.4 m -65.64 -20.58 66.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.115 -0.991 . . . . 0.0 108.438 179.423 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -94.17 1.11 56.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.574 -0.704 . . . . 0.0 110.16 -179.306 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.426 HD22 ' HE3' ' A' ' 34' ' ' LYS . 49.3 t-20 -102.81 115.53 30.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.039 -1.038 . . . . 0.0 109.37 -179.817 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.575 ' HA ' HD12 ' A' ' 35' ' ' LEU . 52.5 t0 -57.02 -34.84 68.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.211 -0.931 . . . . 0.0 109.316 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -66.25 -23.18 66.37 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.627 -0.671 . . . . 0.0 109.994 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 26.4 mttt -110.99 -2.28 16.01 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.96 . . . . 0.0 109.387 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.9 mt -56.99 -44.78 83.06 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.119 179.585 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.75 -39.05 90.68 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.172 -0.955 . . . . 0.0 108.65 178.796 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -61.08 -40.8 95.05 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.425 -0.797 . . . . 0.0 108.887 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.573 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.2 mmt -70.94 -45.78 63.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.25 -0.906 . . . . 0.0 110.102 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.4 -27.89 48.97 Favored Glycine 0 N--CA 1.485 1.96 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 179.332 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.488 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 17.2 t80 -95.38 -54.14 3.51 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.749 -0.853 . . . . 0.0 110.362 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.659 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 68.5 m-85 -77.96 -44.61 26.29 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.245 -0.909 . . . . 0.0 111.179 -178.699 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -140.55 72.27 30.74 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 120.621 -1.299 . . . . 0.0 111.08 -179.307 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.15 -33.56 30.89 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.465 2.11 . . . . 0.0 111.718 179.148 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.7 t -79.35 -42.92 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 109.571 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.501 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 55.2 m -58.11 -38.22 76.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.385 -0.822 . . . . 0.0 110.635 -179.726 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.573 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.2 m -86.42 -6.02 59.02 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.085 -1.009 . . . . 0.0 110.679 -178.617 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.26 35.18 24.29 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 119.607 -1.283 . . . . 0.0 110.841 178.607 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.1 m-30 -105.57 -14.29 15.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.042 -1.269 . . . . 0.0 108.051 178.769 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.298 -1.659 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.744 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.184 0.516 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.57 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 47.3 p30 -72.85 140.63 47.73 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.488 -0.757 . . . . 0.0 109.221 179.296 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.627 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -66.38 141.11 58.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.136 -0.978 . . . . 0.0 109.446 -179.702 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -89.32 -23.35 22.28 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.355 -0.841 . . . . 0.0 109.928 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -85.24 -7.53 58.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.108 -0.995 . . . . 0.0 109.413 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -111.35 136.52 50.35 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.547 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -81.2 85.13 6.41 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.211 -0.93 . . . . 0.0 108.655 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.487 ' HB3' HG21 ' A' ' 45' ' ' THR . 22.3 m -68.74 -34.82 76.24 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.349 -0.844 . . . . 0.0 109.408 -179.376 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -61.57 -46.67 88.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.503 -0.748 . . . . 0.0 109.028 179.729 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 13.2 ttt-85 -68.87 -44.5 73.17 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.301 -0.874 . . . . 0.0 108.951 179.495 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -64.73 -36.92 85.85 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.398 -0.814 . . . . 0.0 109.396 179.453 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.603 HD12 ' SG ' ' A' ' 29' ' ' CYS . 30.4 tp -64.38 -50.94 65.71 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.275 -0.89 . . . . 0.0 110.5 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 37.7 ptt180 -66.79 -22.97 66.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.937 -1.102 . . . . 0.0 108.971 -179.785 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -77.59 -2.76 37.39 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.285 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.82 21.57 65.74 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.429 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.9 t0 -57.21 -39.3 75.15 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.246 -1.15 . . . . 0.0 109.43 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.603 ' SG ' HD12 ' A' ' 24' ' ' LEU . 32.4 m -66.95 -20.32 65.87 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.511 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -93.68 1.46 56.58 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.44 -0.787 . . . . 0.0 110.084 -179.186 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.98 117.24 34.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -0.936 . . . . 0.0 109.369 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.668 ' HA ' HD12 ' A' ' 35' ' ' LEU . 56.7 t0 -59.2 -32.43 69.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.955 . . . . 0.0 109.187 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -66.34 -24.81 66.58 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.555 -0.716 . . . . 0.0 109.417 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.429 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 75.0 mttt -111.51 -1.26 15.91 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.326 -0.859 . . . . 0.0 109.734 -179.558 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.8 mt -57.67 -48.67 78.87 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.386 -0.925 . . . . 0.0 109.771 -179.7 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.16 -38.42 90.52 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.209 -0.932 . . . . 0.0 108.615 179.239 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.36 -39.3 86.7 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.525 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 36.1 mmt -69.41 -46.64 66.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.352 -0.842 . . . . 0.0 109.88 179.504 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.75 -27.16 55.2 Favored Glycine 0 N--CA 1.487 2.076 0 N-CA-C 108.501 -1.839 . . . . 0.0 108.501 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.438 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 30.2 t80 -93.38 -51.9 4.76 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.715 -0.874 . . . . 0.0 110.35 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.584 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 46.1 m-85 -79.56 -50.26 10.98 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.138 -0.976 . . . . 0.0 111.039 -178.883 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 m -135.55 74.86 58.74 Favored Pre-proline 0 C--N 1.302 -1.47 0 O-C-N 120.727 -1.233 . . . . 0.0 110.767 -179.02 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.57 -34.84 31.65 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.331 2.02 . . . . 0.0 111.279 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.5 t -78.21 -44.29 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.506 -0.746 . . . . 0.0 109.186 179.64 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.487 HG21 ' HB3' ' A' ' 20' ' ' CYS . 45.5 m -55.07 -40.16 70.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.475 -0.766 . . . . 0.0 110.683 -179.44 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 63.9 m -86.39 -3.18 58.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.141 -0.974 . . . . 0.0 110.787 -178.68 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.47 34.97 34.27 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 119.691 -1.242 . . . . 0.0 110.813 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 18.0 m-30 -103.57 -14.85 16.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.937 -1.331 . . . . 0.0 107.904 178.573 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.301 -1.523 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.353 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.228 0.537 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.453 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 82.6 m-20 -71.08 135.06 47.52 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.157 -0.965 . . . . 0.0 108.607 179.075 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.603 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -57.45 137.99 55.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.124 -0.985 . . . . 0.0 109.451 -179.464 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -81.53 -30.59 33.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.388 -0.82 . . . . 0.0 109.872 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -86.97 0.35 55.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.936 . . . . 0.0 109.878 -179.474 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -112.09 133.91 53.95 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.148 -0.97 . . . . 0.0 109.227 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -80.6 84.39 6.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.967 -1.083 . . . . 0.0 108.229 179.612 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.3 m -70.24 -35.03 73.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.459 -0.776 . . . . 0.0 109.256 -179.311 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 1.1 tmt_? -61.16 -46.72 89.35 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.373 -0.829 . . . . 0.0 108.879 179.859 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 7.9 ttt180 -67.76 -47.15 70.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.285 -0.885 . . . . 0.0 109.479 179.404 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -61.89 -36.25 80.73 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.401 -0.812 . . . . 0.0 109.498 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' SG ' ' A' ' 29' ' ' CYS . 27.7 tp -63.52 -48.91 75.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.098 -1.001 . . . . 0.0 110.002 -179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 14.9 ptm180 -68.39 -25.02 64.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.135 -0.978 . . . . 0.0 109.287 -179.81 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -74.6 -2.54 26.47 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.421 -0.8 . . . . 0.0 109.366 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 21.81 64.07 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.692 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.401 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 11.9 t0 -59.87 -42.17 93.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.235 -1.156 . . . . 0.0 109.688 -179.866 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' HD12 ' A' ' 24' ' ' LEU . 37.9 m -64.98 -18.31 65.17 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.312 -0.867 . . . . 0.0 108.837 179.767 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -96.78 1.36 50.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 110.209 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.532 HD22 ' HE3' ' A' ' 34' ' ' LYS . 51.6 t-20 -100.81 115.51 30.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.152 -0.968 . . . . 0.0 109.576 -179.555 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.647 ' HA ' HD12 ' A' ' 35' ' ' LEU . 65.4 t0 -57.02 -33.82 67.57 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.324 -0.86 . . . . 0.0 109.308 179.845 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 63.8 t0 -68.07 -24.81 65.1 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.554 -0.716 . . . . 0.0 110.285 -179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.532 ' HE3' HD22 ' A' ' 31' ' ' ASN . 52.2 mttt -109.81 -2.08 17.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.092 -1.005 . . . . 0.0 109.436 -179.402 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.9 mt -55.54 -47.54 76.18 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.063 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.24 -40.41 95.95 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.217 -0.927 . . . . 0.0 108.686 178.943 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -58.02 -41.63 83.56 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.279 -0.888 . . . . 0.0 108.836 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.629 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -68.24 -47.42 67.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.383 -0.823 . . . . 0.0 110.21 -179.624 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.62 -27.79 55.38 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 179.618 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 36.1 t80 -94.38 -51.49 4.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.65 -0.912 . . . . 0.0 110.198 -179.647 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.573 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 64.2 m-85 -80.37 -46.56 15.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.449 -0.782 . . . . 0.0 110.966 -178.92 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.9 m -139.2 72.3 39.1 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 120.663 -1.273 . . . . 0.0 110.931 -179.283 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -66.04 -33.44 41.34 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.671 2.248 . . . . 0.0 111.558 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -78.7 -42.04 24.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.344 -0.847 . . . . 0.0 109.26 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.453 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 48.0 m -58.36 -39.17 78.82 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.57 -0.706 . . . . 0.0 110.757 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 69.3 m -87.1 -2.84 58.93 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.168 -0.957 . . . . 0.0 110.529 -178.314 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.16 37.08 29.51 Favored Glycine 0 N--CA 1.491 2.303 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.816 178.873 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.5 m-30 -106.68 -12.91 15.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.981 -1.305 . . . . 0.0 108.094 178.822 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.299 -1.618 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.438 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.192 0.52 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -72.81 133.18 44.36 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.315 -0.866 . . . . 0.0 109.189 179.329 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.55 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -60.02 141.61 55.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 0.0 109.482 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -88.02 -23.44 23.79 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.46 -0.775 . . . . 0.0 109.854 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -86.74 -6.46 58.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.042 -1.036 . . . . 0.0 109.634 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -115.15 134.32 55.26 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.274 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -82.48 106.12 14.09 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.815 -1.178 . . . . 0.0 108.984 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.4 m -80.15 -39.87 28.49 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.505 -0.747 . . . . 0.0 109.732 -179.595 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -43.69 94.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.286 -0.884 . . . . 0.0 109.207 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 9.4 ttp180 -67.55 -47.55 69.53 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.266 -0.896 . . . . 0.0 109.55 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 m -65.07 -37.11 86.48 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.438 -0.789 . . . . 0.0 109.079 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.553 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.1 tp -64.76 -48.4 74.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.317 -0.865 . . . . 0.0 110.537 -179.837 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 24.9 ptt180 -67.92 -22.3 65.07 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.942 -1.099 . . . . 0.0 108.906 -179.741 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -81.16 -1.13 43.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.52 -0.738 . . . . 0.0 109.442 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 22.27 63.61 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.439 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 21.8 t0 -59.16 -40.53 85.87 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.22 -1.165 . . . . 0.0 109.451 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.553 ' SG ' HD12 ' A' ' 24' ' ' LEU . 29.9 m -64.44 -19.63 65.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.066 -1.021 . . . . 0.0 108.49 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -96.88 -1.11 46.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.448 -0.783 . . . . 0.0 110.052 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.417 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 47.5 t-20 -98.22 114.0 26.11 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.971 -1.081 . . . . 0.0 109.39 -179.595 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.571 ' HA ' HD12 ' A' ' 35' ' ' LEU . 75.2 m-20 -56.94 -33.73 67.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.358 -0.839 . . . . 0.0 109.022 -179.909 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -67.38 -23.7 65.61 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.701 -0.625 . . . . 0.0 110.05 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HB2' ' OD1' ' A' ' 28' ' ' ASP . 28.3 mttt -112.46 -0.54 15.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.116 -0.99 . . . . 0.0 109.971 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.9 mt -55.66 -46.25 77.54 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 108.76 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.05 -37.35 87.28 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.25 -41.22 96.54 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.157 -0.965 . . . . 0.0 108.936 179.662 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.598 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.08 -45.84 66.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.302 -0.874 . . . . 0.0 109.586 179.628 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.12 -28.93 59.06 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 21.2 t80 -94.87 -52.16 4.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.598 -0.942 . . . . 0.0 110.355 -179.77 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.55 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 67.7 m-85 -79.78 -48.98 12.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.135 -0.978 . . . . 0.0 111.25 -178.651 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' MET . 25.5 m -135.33 70.37 68.07 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 120.694 -1.254 . . . . 0.0 110.938 -178.581 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.53 -34.09 43.82 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.76 2.307 . . . . 0.0 111.703 179.117 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -77.02 -42.92 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.389 -0.819 . . . . 0.0 109.916 -179.775 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.3 m -61.36 -37.04 81.94 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.247 -0.908 . . . . 0.0 110.983 -179.373 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 58.3 m -86.31 -0.41 55.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.988 -1.07 . . . . 0.0 110.614 -178.48 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.21 35.12 39.03 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.701 -1.237 . . . . 0.0 110.497 178.563 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.8 m-30 -106.36 -13.0 15.49 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.113 -1.228 . . . . 0.0 108.084 178.853 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.303 -1.452 0 O-C-N 121.632 -0.667 . . . . 0.0 109.502 179.362 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 121.264 0.554 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.586 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 55.5 p30 -69.25 138.96 54.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.185 -0.947 . . . . 0.0 109.836 -179.677 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.606 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -66.15 140.14 58.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.925 . . . . 0.0 109.37 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -85.21 -24.23 27.94 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.345 -0.847 . . . . 0.0 109.779 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -89.19 -1.96 58.3 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.228 -0.92 . . . . 0.0 109.725 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -113.17 132.06 55.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.132 -0.98 . . . . 0.0 109.104 179.792 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -79.22 84.71 5.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.082 -1.011 . . . . 0.0 108.654 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 m -70.6 -35.92 73.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.359 -0.838 . . . . 0.0 109.52 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.479 ' C ' ' CD ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.97 -47.57 85.26 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.428 -0.795 . . . . 0.0 108.88 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 12.6 ttt85 -69.8 -43.63 71.72 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.3 -0.875 . . . . 0.0 109.377 179.551 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.3 m -64.72 -37.26 86.99 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.398 -0.814 . . . . 0.0 109.29 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.582 HD12 ' SG ' ' A' ' 29' ' ' CYS . 31.3 tp -63.81 -49.11 74.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.295 -0.878 . . . . 0.0 110.393 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 24.9 ptt180 -68.54 -17.97 64.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.132 -0.98 . . . . 0.0 109.064 -179.564 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -83.36 -2.3 55.41 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.437 -0.789 . . . . 0.0 109.207 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.22 22.45 60.77 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 -179.394 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.421 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 16.3 t0 -59.52 -39.27 83.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.254 -1.145 . . . . 0.0 109.089 179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.582 ' SG ' HD12 ' A' ' 24' ' ' LEU . 27.5 m -66.95 -20.3 65.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.228 -0.92 . . . . 0.0 108.659 179.339 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -96.29 -0.94 48.94 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.419 -0.801 . . . . 0.0 110.203 -179.451 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -97.61 116.76 30.44 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.001 -1.062 . . . . 0.0 109.245 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.664 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.9 m-20 -58.55 -33.26 69.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.461 -0.774 . . . . 0.0 109.001 -179.843 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -66.38 -27.79 68.13 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.579 -0.701 . . . . 0.0 109.933 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.421 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 23.5 mttt -108.43 -1.5 19.82 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.185 -0.947 . . . . 0.0 109.831 -178.763 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 32' ' ' ASP . 11.6 mt -55.17 -46.78 75.79 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.23 -0.919 . . . . 0.0 109.449 -179.75 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.34 -38.83 92.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 108.917 179.153 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.77 -40.67 88.98 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.251 -0.906 . . . . 0.0 109.073 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.54 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -69.32 -44.52 71.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.434 -0.791 . . . . 0.0 110.397 -179.68 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.38 -27.85 63.81 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 28.4 t80 -94.96 -55.67 3.01 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.661 -0.905 . . . . 0.0 110.702 -179.581 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.562 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 69.9 m-85 -76.39 -48.36 20.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.933 . . . . 0.0 111.295 -178.738 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.488 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.8 m -135.99 70.08 63.79 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 120.717 -1.239 . . . . 0.0 111.088 -178.855 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' MET . 35.8 Cg_endo -66.71 -32.29 38.02 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.303 2.002 . . . . 0.0 111.585 179.355 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.9 t -79.58 -43.62 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.507 -0.746 . . . . 0.0 109.54 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.5 m -59.79 -37.32 78.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.307 -0.871 . . . . 0.0 110.608 -179.425 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.54 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 57.5 m -85.57 -9.13 57.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.003 -1.06 . . . . 0.0 110.265 -178.635 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.82 38.09 9.75 Favored Glycine 0 N--CA 1.491 2.335 0 C-N-CA 119.736 -1.221 . . . . 0.0 112.002 177.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 46' ' ' CYS . 36.4 m-85 -105.78 -18.64 14.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.711 -1.464 . . . . 0.0 107.739 177.915 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.51 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 120.961 0.41 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.585 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 52.1 p30 -76.04 141.97 41.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.105 -0.997 . . . . 0.0 109.001 179.046 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.96 136.27 57.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.944 -1.097 . . . . 0.0 109.824 -179.413 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -86.28 -15.73 39.76 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.35 -0.843 . . . . 0.0 108.801 178.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -93.26 -15.63 25.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.551 -0.718 . . . . 0.0 109.71 -179.652 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -105.31 129.53 53.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -0.91 . . . . 0.0 109.162 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -74.83 86.71 2.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.127 -0.983 . . . . 0.0 109.03 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.67 -35.93 73.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.391 -0.818 . . . . 0.0 109.233 -179.735 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.75 ' HE ' HH21 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -58.25 -43.88 88.08 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -68.04 -46.96 69.69 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.302 -0.874 . . . . 0.0 109.598 179.402 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.5 p -65.41 -35.42 80.89 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.314 -0.866 . . . . 0.0 109.323 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.549 HD12 ' SG ' ' A' ' 29' ' ' CYS . 31.4 tp -62.57 -47.2 84.86 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.217 -0.927 . . . . 0.0 110.173 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.75 HH21 ' HE ' ' A' ' 21' ' ' ARG . 13.4 ptp180 -67.61 -25.32 65.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.147 -0.97 . . . . 0.0 109.101 -179.787 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -77.15 -2.05 32.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.459 -0.776 . . . . 0.0 109.557 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.86 23.16 60.17 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.45 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.5 t0 -60.46 -38.49 84.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.286 -1.126 . . . . 0.0 109.881 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.549 ' SG ' HD12 ' A' ' 24' ' ' LEU . 25.5 m -66.84 -20.37 65.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.993 -1.067 . . . . 0.0 108.25 179.397 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -94.69 -2.6 50.88 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.676 -0.64 . . . . 0.0 110.116 -179.433 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.503 HD22 ' HE3' ' A' ' 34' ' ' LYS . 52.2 t-20 -98.81 114.93 27.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.037 -1.039 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.642 ' HA ' HD12 ' A' ' 35' ' ' LEU . 49.7 t0 -58.42 -33.15 69.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.426 -0.796 . . . . 0.0 109.28 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -66.36 -23.85 66.41 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.368 -0.832 . . . . 0.0 109.867 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.503 ' HE3' HD22 ' A' ' 31' ' ' ASN . 42.7 mttt -111.37 -1.57 15.94 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.117 -0.99 . . . . 0.0 109.685 -179.225 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.6 mt -57.04 -44.04 82.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.179 -0.95 . . . . 0.0 109.435 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.66 -38.67 89.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.048 -1.033 . . . . 0.0 108.483 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.92 -42.22 97.7 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.609 -0.837 . . . . 0.0 108.792 179.517 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.536 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.1 mmt -70.45 -46.15 64.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.508 -0.745 . . . . 0.0 110.051 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.75 -25.91 56.67 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 108.398 -1.881 . . . . 0.0 108.398 179.383 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -95.43 -54.32 3.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.591 -0.946 . . . . 0.0 110.024 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -78.81 -47.29 16.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.164 -0.96 . . . . 0.0 111.268 -178.843 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.5 m -135.96 71.56 62.6 Favored Pre-proline 0 N--CA 1.489 1.507 0 C-N-CA 118.905 -1.118 . . . . 0.0 111.151 -178.594 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.13 -32.24 27.94 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.523 2.148 . . . . 0.0 111.28 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.7 t -78.18 -43.47 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.409 -0.807 . . . . 0.0 109.706 179.785 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.0 m -61.21 -38.29 86.07 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.393 -0.817 . . . . 0.0 110.82 -179.025 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 57.8 m -86.1 -3.29 58.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.047 -1.033 . . . . 0.0 110.618 -178.461 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.59 35.17 33.19 Favored Glycine 0 N--CA 1.491 2.327 0 C-N-CA 120.075 -1.06 . . . . 0.0 111.224 178.699 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -104.4 -10.55 17.66 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.895 -1.356 . . . . 0.0 107.933 178.563 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.3 -1.545 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.559 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -74.75 130.87 40.24 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.276 -0.89 . . . . 0.0 109.178 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.559 ' O ' HG22 ' A' ' 3' ' ' ILE . 74.1 mt -79.91 1.15 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.188 -0.945 . . . . 0.0 109.622 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -72.06 -2.91 20.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.094 -1.004 . . . . 0.0 109.214 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 t -92.61 -3.02 55.65 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.507 -0.746 . . . . 0.0 109.327 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.8 -28.9 69.35 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.246 -0.909 . . . . 0.0 109.426 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.02 128.06 33.28 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.375 -0.828 . . . . 0.0 109.684 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -108.98 10.57 26.25 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.368 -0.832 . . . . 0.0 108.969 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.63 12.55 24.99 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.415 -0.803 . . . . 0.0 109.543 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.2 -26.68 67.51 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.357 -0.839 . . . . 0.0 109.337 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -106.06 122.46 46.22 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.147 -0.971 . . . . 0.0 109.502 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.8 m -109.18 145.31 36.01 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.554 -0.716 . . . . 0.0 109.118 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.39 152.74 49.98 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.273 -0.892 . . . . 0.0 109.892 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.544 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 51.0 p30 -76.48 148.72 37.01 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.239 -0.913 . . . . 0.0 108.571 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 136.08 54.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.841 -1.162 . . . . 0.0 110.095 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -80.34 -27.12 38.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.593 -0.692 . . . . 0.0 109.296 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -91.02 -8.19 49.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.43 -0.794 . . . . 0.0 109.917 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -104.94 132.43 51.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.957 . . . . 0.0 108.94 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -79.9 84.93 5.59 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.231 -0.918 . . . . 0.0 108.934 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 m -70.67 -33.94 71.47 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.303 -0.873 . . . . 0.0 109.445 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.496 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.86 -49.42 77.55 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.433 -0.792 . . . . 0.0 108.877 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.527 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 10.1 ttt85 -67.26 -44.13 80.13 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.354 -0.841 . . . . 0.0 109.343 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.8 m -63.89 -36.2 83.15 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 109.155 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.557 HD12 ' SG ' ' A' ' 29' ' ' CYS . 34.4 tp -65.93 -46.81 76.83 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.283 -0.886 . . . . 0.0 110.661 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 31.3 ptt180 -68.48 -24.88 64.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.03 -1.044 . . . . 0.0 108.74 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -76.53 -2.67 33.5 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.95 23.14 62.23 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.246 -1.541 . . . . 0.0 109.246 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.412 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.8 t0 -58.17 -39.21 78.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.321 -1.105 . . . . 0.0 109.255 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.557 ' SG ' HD12 ' A' ' 24' ' ' LEU . 25.3 m -67.02 -20.95 65.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 108.813 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -93.66 -2.0 54.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.319 -0.863 . . . . 0.0 110.172 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -98.57 113.89 26.11 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.028 -1.045 . . . . 0.0 109.183 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.609 ' HA ' HD12 ' A' ' 35' ' ' LEU . 53.9 t0 -56.42 -34.0 66.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.157 -0.965 . . . . 0.0 109.167 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -65.42 -24.65 67.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.463 -0.773 . . . . 0.0 109.959 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 27.9 mttm -110.56 -3.15 16.1 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.099 -1.001 . . . . 0.0 109.581 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.9 mt -55.27 -42.06 73.07 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.849 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -67.17 -39.58 86.49 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.29 -0.882 . . . . 0.0 108.763 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.25 -39.45 90.41 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.421 -0.799 . . . . 0.0 109.154 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.55 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.7 mmt -70.11 -46.4 64.9 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.694 -0.629 . . . . 0.0 110.483 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.89 -27.51 59.48 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.345 -1.902 . . . . 0.0 108.345 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -94.44 -53.27 3.98 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.718 -0.872 . . . . 0.0 110.38 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -80.16 -46.84 15.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.066 -1.021 . . . . 0.0 111.447 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.2 m -136.33 70.43 61.3 Favored Pre-proline 0 N--CA 1.489 1.482 0 O-C-N 120.693 -1.254 . . . . 0.0 110.869 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.81 -33.11 44.69 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.545 2.163 . . . . 0.0 111.233 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -78.42 -44.91 26.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.617 -0.677 . . . . 0.0 109.675 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.0 m -58.91 -38.87 79.91 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.407 -0.808 . . . . 0.0 110.952 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 69.7 m -85.89 -2.19 58.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.891 -1.13 . . . . 0.0 110.633 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.35 38.1 26.18 Favored Glycine 0 N--CA 1.49 2.281 0 C-N-CA 119.64 -1.267 . . . . 0.0 110.872 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.0 m-30 -107.8 -12.16 15.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.884 -1.362 . . . . 0.0 108.068 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.8 t -154.21 174.97 14.05 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -105.19 157.14 34.98 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.315 -0.866 . . . . 0.0 109.601 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 N--CA 1.497 1.682 0 C-N-CA 123.025 2.483 . . . . 0.0 112.831 -179.756 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.529 ' CG ' ' H ' ' A' ' 2' ' ' ASP . 40.0 t-20 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.529 ' H ' ' CG ' ' A' ' 1' ' ' ASN . 87.0 m-20 -67.07 143.39 56.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.033 -1.042 . . . . 0.0 109.369 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.549 ' O ' HG22 ' A' ' 3' ' ' ILE . 92.7 mt -72.42 -0.91 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.169 -0.957 . . . . 0.0 109.161 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -79.71 4.42 16.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.245 -0.909 . . . . 0.0 109.016 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 t -71.01 2.8 3.94 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.425 -0.797 . . . . 0.0 109.646 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.27 -19.32 59.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.306 -0.871 . . . . 0.0 109.908 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.3 156.77 36.8 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.075 -1.016 . . . . 0.0 109.802 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -90.7 10.94 23.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.244 -0.91 . . . . 0.0 108.818 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.98 20.67 2.18 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.314 -0.866 . . . . 0.0 110.138 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.19 -13.06 59.64 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.998 -1.063 . . . . 0.0 108.839 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -98.22 118.66 35.36 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.259 -0.9 . . . . 0.0 108.663 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.8 m -112.02 137.42 50.05 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.36 149.76 48.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.241 -0.912 . . . . 0.0 110.136 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.511 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 88.0 m-20 -68.72 139.65 55.37 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.308 -0.87 . . . . 0.0 108.825 179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 139.51 54.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.156 -0.965 . . . . 0.0 109.565 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -83.23 -25.59 31.57 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.301 -0.874 . . . . 0.0 109.548 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -92.6 -4.02 54.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.945 . . . . 0.0 109.816 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -108.73 132.96 53.44 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.185 -0.947 . . . . 0.0 109.174 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -80.25 84.79 5.86 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.213 -0.93 . . . . 0.0 109.06 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.0 m -67.29 -34.58 77.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.309 -0.869 . . . . 0.0 108.973 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.423 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.73 -45.23 95.07 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.637 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 7.3 ttp180 -69.68 -47.61 62.64 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.34 -0.85 . . . . 0.0 109.524 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -63.46 -36.66 84.5 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.502 -0.749 . . . . 0.0 109.192 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.508 HD12 ' SG ' ' A' ' 29' ' ' CYS . 45.2 tp -63.74 -50.78 67.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.218 -0.926 . . . . 0.0 110.609 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 18.6 ptt180 -67.21 -25.09 65.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.09 -1.006 . . . . 0.0 109.124 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -75.96 -3.03 33.28 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.46 25.39 59.01 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.403 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 14.4 t0 -60.89 -40.32 92.58 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.458 -1.025 . . . . 0.0 109.002 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.508 ' SG ' HD12 ' A' ' 24' ' ' LEU . 26.4 m -66.1 -20.69 66.24 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -96.74 2.87 52.46 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.423 -0.798 . . . . 0.0 109.869 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.472 HD22 ' HE3' ' A' ' 34' ' ' LYS . 50.3 t-20 -100.82 114.75 28.83 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 109.26 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.594 ' HA ' HD12 ' A' ' 35' ' ' LEU . 78.4 m-20 -56.63 -34.1 66.94 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.355 -0.841 . . . . 0.0 109.246 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -67.49 -25.87 66.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.404 -0.81 . . . . 0.0 109.934 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HE3' HD22 ' A' ' 31' ' ' ASN . 75.6 mttt -109.41 -2.84 17.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.23 -0.919 . . . . 0.0 109.802 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 32' ' ' ASP . 11.6 mt -52.71 -46.8 67.51 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.536 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -65.54 -39.83 92.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -0.923 . . . . 0.0 109.183 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -58.38 -40.56 82.67 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.427 -0.795 . . . . 0.0 109.332 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.596 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.3 mmt -70.47 -45.3 65.99 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.433 -0.792 . . . . 0.0 110.162 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.99 -28.14 57.8 Favored Glycine 0 N--CA 1.483 1.81 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -94.88 -55.58 3.06 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.64 -0.918 . . . . 0.0 110.662 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -77.05 -47.61 20.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.174 -0.954 . . . . 0.0 111.027 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 38' ' ' MET . 9.7 m -134.96 71.5 69.35 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 120.679 -1.263 . . . . 0.0 110.824 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.94 -33.58 32.39 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.653 2.235 . . . . 0.0 111.624 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 81.9 t -78.88 -44.32 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.524 -0.735 . . . . 0.0 110.095 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.511 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 35.2 m -59.48 -38.86 81.93 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.368 -0.832 . . . . 0.0 110.608 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.596 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 93.3 m -85.69 -13.07 49.61 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.136 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.6 36.6 8.54 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.878 -1.153 . . . . 0.0 112.214 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.54 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 38.7 m-85 -104.66 -13.12 16.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.644 -1.503 . . . . 0.0 107.54 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -148.96 176.09 10.73 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' A' ' 50' ' ' GLU . 22.1 mp0 -111.73 150.97 43.05 Favored Pre-proline 0 C--N 1.303 -1.422 0 O-C-N 121.439 -0.788 . . . . 0.0 109.12 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.305 -1.725 0 C-N-CA 122.509 2.14 . . . . 0.0 112.517 179.848 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.2 m120 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.365 0.602 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -67.13 143.73 56.47 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.073 -1.017 . . . . 0.0 108.982 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 3' ' ' ILE . 76.2 mt -74.17 -0.34 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.299 -0.875 . . . . 0.0 109.267 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -75.77 2.37 12.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.35 -0.844 . . . . 0.0 109.186 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 t -79.43 1.99 23.44 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.168 -0.958 . . . . 0.0 109.027 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.35 -2.53 35.46 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.278 -0.888 . . . . 0.0 109.531 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 140.76 58.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.243 -0.911 . . . . 0.0 109.811 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -102.2 -0.1 33.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.354 -0.841 . . . . 0.0 109.23 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.46 20.73 1.53 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.361 -0.837 . . . . 0.0 109.491 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -70.93 -8.95 56.65 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.219 -0.925 . . . . 0.0 109.095 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -101.33 125.68 47.99 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.258 -0.902 . . . . 0.0 109.041 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.475 ' O ' HG21 ' A' ' 44' ' ' VAL . 6.1 m -111.67 161.12 16.59 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.57 149.56 48.14 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.1 -1.0 . . . . 0.0 110.028 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.536 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 81.6 m-20 -63.99 138.12 58.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.334 -0.854 . . . . 0.0 109.076 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.58 136.57 58.1 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.012 -1.055 . . . . 0.0 109.674 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -75.81 -28.99 58.54 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.204 -0.935 . . . . 0.0 109.91 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -91.96 -5.48 53.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.023 -1.048 . . . . 0.0 109.947 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -103.82 133.11 49.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.131 -0.981 . . . . 0.0 109.115 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -82.12 84.75 6.93 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.247 -0.908 . . . . 0.0 108.734 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.561 ' HB3' HG21 ' A' ' 45' ' ' THR . 18.6 m -67.37 -35.43 79.33 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.469 -0.77 . . . . 0.0 109.289 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.65 HH12 ' NH1' ' A' ' 25' ' ' ARG . 1.1 tmt_? -61.14 -46.12 91.86 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.542 0.687 . . . . 0.0 109.322 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 13.6 ttt180 -68.77 -46.96 67.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.123 -0.985 . . . . 0.0 109.678 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.5 m -64.42 -35.59 81.41 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.511 -0.743 . . . . 0.0 109.708 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.613 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.2 tp -65.61 -50.66 64.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.973 -1.079 . . . . 0.0 110.222 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.65 ' NH1' HH12 ' A' ' 21' ' ' ARG . 39.3 ptt180 -65.91 -22.74 66.52 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.984 -1.073 . . . . 0.0 108.611 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -78.37 -2.02 36.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.543 -0.723 . . . . 0.0 109.709 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.47 20.28 69.46 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.403 ' OD1' ' HB3' ' A' ' 34' ' ' LYS . 11.0 t0 -59.26 -40.14 85.08 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.434 -1.039 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.613 ' SG ' HD12 ' A' ' 24' ' ' LEU . 42.0 m -66.8 -22.03 66.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 0.0 108.642 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -93.19 -1.01 56.71 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.513 -0.742 . . . . 0.0 110.185 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -98.34 115.1 27.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.991 -1.068 . . . . 0.0 109.369 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.648 ' HA ' HD12 ' A' ' 35' ' ' LEU . 20.5 t70 -56.57 -34.07 66.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -0.897 . . . . 0.0 109.376 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -67.11 -24.05 65.89 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.537 -0.727 . . . . 0.0 110.327 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . 17.5 mttt -109.93 -2.16 17.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.205 -0.934 . . . . 0.0 110.074 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.9 mt -56.2 -44.76 79.79 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.251 -0.905 . . . . 0.0 109.427 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.06 -41.39 95.18 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.275 -0.891 . . . . 0.0 109.157 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -61.93 -38.37 88.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.433 -0.792 . . . . 0.0 109.458 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.567 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.1 mmt -68.04 -45.22 74.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.356 -0.84 . . . . 0.0 109.462 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.98 -27.41 64.62 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.283 -1.927 . . . . 0.0 108.283 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 38.1 t80 -90.14 -50.02 6.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.745 -0.856 . . . . 0.0 109.87 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -83.64 -54.26 5.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.215 -0.928 . . . . 0.0 111.042 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.5 m -131.57 76.55 74.84 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 120.76 -1.213 . . . . 0.0 110.887 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.83 -32.42 22.86 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.381 2.054 . . . . 0.0 110.639 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 12' ' ' CYS . 99.7 t -78.89 -43.33 24.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.55 -0.719 . . . . 0.0 109.422 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.561 HG21 ' HB3' ' A' ' 20' ' ' CYS . 55.6 m -58.04 -39.5 78.57 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.461 -0.774 . . . . 0.0 110.781 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.567 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 70.6 m -86.46 -4.2 59.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.102 -0.999 . . . . 0.0 110.852 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.26 38.55 14.7 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.841 -1.171 . . . . 0.0 111.088 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 14.7 m-30 -108.01 -14.94 14.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.985 -1.303 . . . . 0.0 107.965 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m -128.51 170.05 13.63 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -106.24 117.93 56.1 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.196 -0.94 . . . . 0.0 109.363 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo . . . . . 0 C--N 1.308 -1.559 0 C-N-CA 122.223 1.949 . . . . 0.0 112.193 -179.749 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.2 m120 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -68.98 141.63 54.87 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 109.324 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.618 ' O ' HG22 ' A' ' 3' ' ' ILE . 94.4 mt -70.61 2.24 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.301 -0.874 . . . . 0.0 109.659 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -74.84 -0.06 17.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 109.638 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 t -87.31 2.53 49.95 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.185 -0.947 . . . . 0.0 109.487 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.68 -5.86 36.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.377 -0.827 . . . . 0.0 109.91 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.54 141.37 57.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.93 -1.106 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -99.32 9.12 43.96 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.384 -0.822 . . . . 0.0 109.059 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.55 18.05 6.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.389 -0.819 . . . . 0.0 109.949 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -67.79 -25.57 65.66 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 0.0 109.547 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -102.97 120.99 41.62 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.284 -0.885 . . . . 0.0 109.091 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.6 m -111.35 149.84 30.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.49 -0.756 . . . . 0.0 109.35 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.78 152.0 48.71 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.146 -0.971 . . . . 0.0 110.207 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.549 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 47.1 p30 -74.21 145.7 43.92 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.232 -0.917 . . . . 0.0 109.135 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.5 134.53 51.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.001 -1.062 . . . . 0.0 109.474 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HG3' ' HZ2' ' A' ' 16' ' ' LYS . 18.1 pttp -81.76 -25.6 35.18 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.426 -0.796 . . . . 0.0 109.47 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -88.17 -5.2 58.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.0 110.039 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -111.85 135.5 52.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.96 . . . . 0.0 109.016 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -79.96 85.27 5.59 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.214 -0.929 . . . . 0.0 108.612 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.8 m -68.62 -36.72 79.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 109.288 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.427 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.69 -46.53 90.03 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.471 ' HE ' HH21 ' A' ' 25' ' ' ARG . 12.7 ttm180 -66.78 -47.99 70.42 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.208 -0.933 . . . . 0.0 109.212 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.7 m -62.79 -35.38 79.69 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.339 -0.851 . . . . 0.0 109.164 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.599 HD12 ' SG ' ' A' ' 29' ' ' CYS . 26.8 tp -64.59 -50.87 65.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.331 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.471 HH21 ' HE ' ' A' ' 22' ' ' ARG . 29.1 ptt180 -66.44 -25.05 66.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.011 -1.056 . . . . 0.0 108.771 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -75.45 -1.35 23.65 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.03 22.11 72.23 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.42 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.6 t0 -57.71 -38.67 75.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.282 -1.128 . . . . 0.0 108.993 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.599 ' SG ' HD12 ' A' ' 24' ' ' LEU . 34.7 m -66.48 -20.28 66.0 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -95.84 3.2 53.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.47 -0.768 . . . . 0.0 109.957 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -101.12 114.33 28.18 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.079 -1.013 . . . . 0.0 109.3 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.682 ' HA ' HD12 ' A' ' 35' ' ' LEU . 88.6 m-20 -55.29 -34.82 64.46 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.511 -0.743 . . . . 0.0 109.095 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -67.7 -26.1 66.0 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.641 -0.662 . . . . 0.0 110.343 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 12.9 mttm -108.41 -2.56 18.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.136 -0.977 . . . . 0.0 109.627 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.4 mt -56.02 -46.99 78.63 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.194 -0.941 . . . . 0.0 109.406 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.36 -39.74 94.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.076 -1.015 . . . . 0.0 108.964 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -61.33 -39.1 89.28 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.379 -0.826 . . . . 0.0 109.414 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.57 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.3 mmt -69.26 -44.88 71.03 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.29 -0.881 . . . . 0.0 109.932 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.66 -24.39 56.88 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 30.8 t80 -94.94 -54.92 3.27 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.755 -0.85 . . . . 0.0 110.305 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -77.82 -54.75 5.97 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.181 -0.95 . . . . 0.0 110.587 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.2 m -129.88 74.14 80.87 Favored Pre-proline 0 N--CA 1.487 1.418 0 O-C-N 120.922 -1.111 . . . . 0.0 111.139 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.46 -33.22 38.14 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.723 2.282 . . . . 0.0 111.195 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.7 t -78.69 -43.01 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.557 -0.715 . . . . 0.0 109.595 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.406 HG22 HD13 ' A' ' 24' ' ' LEU . 90.3 m -59.27 -38.29 79.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.516 -0.74 . . . . 0.0 110.92 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 62.3 m -86.53 -3.16 58.98 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.985 -1.072 . . . . 0.0 110.692 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.69 39.33 17.93 Favored Glycine 0 N--CA 1.49 2.264 0 C-N-CA 119.888 -1.148 . . . . 0.0 110.858 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.8 m-30 -110.39 -14.58 14.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.079 -1.248 . . . . 0.0 108.594 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -149.86 176.59 10.6 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.576 -0.702 . . . . 0.0 109.567 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.99 149.93 36.63 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.172 -0.955 . . . . 0.0 109.965 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 N--CA 1.494 1.52 0 C-N-CA 122.83 2.353 . . . . 0.0 112.321 179.662 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.29 0.567 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -80.37 130.31 35.09 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.389 -0.819 . . . . 0.0 109.214 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 3' ' ' ILE . 76.8 mt -76.26 -1.86 3.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.315 -0.866 . . . . 0.0 109.798 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -75.44 1.81 13.07 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.157 -0.964 . . . . 0.0 109.156 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 t -83.25 3.27 31.96 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.266 -0.896 . . . . 0.0 109.618 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.66 -10.97 60.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.324 -0.86 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.34 135.28 55.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.152 -0.967 . . . . 0.0 109.1 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 10' ' ' GLU . 82.5 m-20 -102.02 0.5 35.18 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.958 -1.088 . . . . 0.0 109.81 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.15 18.38 0.05 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.088 -1.008 . . . . 0.0 109.466 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 8' ' ' ASP . 82.8 tt0 -75.08 -9.71 58.79 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.911 . . . . 0.0 108.715 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -100.98 126.06 47.62 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.415 -0.803 . . . . 0.0 109.13 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' O ' HG21 ' A' ' 44' ' ' VAL . 4.0 m -114.86 159.28 20.85 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.02 149.0 48.64 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.051 -1.031 . . . . 0.0 109.736 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 43.1 p30 -67.74 139.03 56.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.337 -0.852 . . . . 0.0 109.199 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 138.8 58.26 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.919 -1.113 . . . . 0.0 109.743 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -84.23 -26.28 28.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.174 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -90.12 -7.57 53.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.441 -0.787 . . . . 0.0 110.508 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -109.08 131.49 55.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.879 -1.138 . . . . 0.0 108.985 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -78.0 85.94 4.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.323 -0.86 . . . . 0.0 109.492 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -68.47 -35.87 78.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.377 -0.827 . . . . 0.0 109.215 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.457 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -56.94 -42.34 79.87 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HG3' HD21 ' A' ' 26' ' ' ASN . 20.9 ttt-85 -68.62 -47.13 67.45 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.71 -0.619 . . . . 0.0 109.619 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.9 p -67.89 -35.02 77.77 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.384 -0.823 . . . . 0.0 109.053 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.665 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.0 tp -64.69 -49.36 71.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.413 -0.804 . . . . 0.0 110.391 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 44.2 ptt85 -68.07 -26.23 65.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.2 -0.937 . . . . 0.0 109.259 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.504 HD21 ' HG3' ' A' ' 22' ' ' ARG . 95.9 m-20 -75.81 -1.79 26.86 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.445 -0.785 . . . . 0.0 108.946 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.4 22.6 62.27 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.9 -40.18 79.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -1.166 . . . . 0.0 109.681 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.665 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.9 m -63.81 -20.05 65.48 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -96.02 1.91 53.01 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.56 -0.713 . . . . 0.0 110.929 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -102.64 115.69 31.09 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.946 -1.096 . . . . 0.0 109.591 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.61 ' HA ' HD12 ' A' ' 35' ' ' LEU . 85.3 m-20 -56.9 -33.4 66.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.288 -0.882 . . . . 0.0 109.236 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.85 -22.68 64.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.274 -0.891 . . . . 0.0 110.247 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -111.03 -1.87 16.13 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.969 -1.082 . . . . 0.0 109.843 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.5 mt -56.68 -43.81 80.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.183 -0.948 . . . . 0.0 109.351 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.75 -38.05 85.85 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.099 -1.001 . . . . 0.0 108.928 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -60.84 -40.75 94.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.329 -0.857 . . . . 0.0 109.126 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.488 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.9 mmt -70.87 -44.88 65.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.329 -0.857 . . . . 0.0 109.846 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.0 -28.57 58.34 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 108.158 -1.977 . . . . 0.0 108.158 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -94.07 -53.28 4.03 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.774 -0.839 . . . . 0.0 110.64 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -80.56 -48.99 11.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.093 -1.004 . . . . 0.0 111.063 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.9 m -134.87 72.54 68.22 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 120.646 -1.284 . . . . 0.0 110.995 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' MET . 47.0 Cg_endo -69.57 -33.59 17.01 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.473 2.116 . . . . 0.0 111.147 178.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 12' ' ' CYS . 95.7 t -77.31 -42.34 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.646 -0.659 . . . . 0.0 109.373 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.9 m -60.97 -38.45 86.01 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.556 -0.715 . . . . 0.0 110.946 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 56.5 m -86.36 -1.95 57.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.946 -1.096 . . . . 0.0 110.629 -178.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.26 37.07 25.58 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 120.21 -0.995 . . . . 0.0 111.144 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.5 m-30 -106.36 -15.64 14.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.758 -1.436 . . . . 0.0 108.249 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -127.91 170.67 12.57 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -109.15 116.42 55.3 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.368 -0.833 . . . . 0.0 109.364 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo . . . . . 0 N--CA 1.491 1.327 0 C-N-CA 122.575 2.183 . . . . 0.0 112.428 -179.652 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.6 m120 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -65.81 142.95 57.77 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.315 -0.866 . . . . 0.0 109.254 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.618 ' O ' HG22 ' A' ' 3' ' ' ILE . 86.8 mt -77.32 6.01 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.223 -0.923 . . . . 0.0 108.738 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -74.98 -3.12 30.4 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.312 -0.868 . . . . 0.0 109.217 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -90.77 -3.8 57.15 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.443 -0.785 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.41 -2.37 38.01 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.348 -0.845 . . . . 0.0 109.382 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.56 141.24 26.14 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.401 -0.812 . . . . 0.0 109.869 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 10' ' ' GLU . 92.4 m-20 -112.67 12.36 19.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.377 -0.827 . . . . 0.0 110.065 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.21 12.54 0.12 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.031 -1.043 . . . . 0.0 109.413 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.543 ' H ' ' C ' ' A' ' 8' ' ' ASP . 84.6 tt0 -68.89 -25.92 64.84 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.471 -0.768 . . . . 0.0 109.738 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -101.02 122.18 43.09 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.226 -0.921 . . . . 0.0 109.169 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 79.1 m -91.13 139.92 30.3 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.374 -0.829 . . . . 0.0 108.876 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.51 150.61 47.68 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.242 -0.911 . . . . 0.0 109.862 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.569 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 55.3 p30 -76.32 148.61 37.37 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.294 -0.879 . . . . 0.0 109.348 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.16 138.09 58.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.024 -1.047 . . . . 0.0 109.551 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -87.33 -25.83 23.69 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -87.91 -6.8 57.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.574 -0.704 . . . . 0.0 109.839 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -110.56 129.88 55.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.114 -0.991 . . . . 0.0 109.347 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -75.97 84.12 2.87 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.193 -0.942 . . . . 0.0 108.562 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.427 ' HB3' HG21 ' A' ' 45' ' ' THR . 30.2 m -66.07 -34.17 77.46 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 0.0 108.871 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.05 -43.84 91.74 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.624 -0.672 . . . . 0.0 109.215 179.618 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.514 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 21.8 ttt-85 -68.28 -46.94 69.01 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.259 -0.901 . . . . 0.0 109.402 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.7 p -66.37 -34.16 77.34 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.23 -0.919 . . . . 0.0 109.063 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.613 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.0 tp -65.35 -49.93 67.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.882 . . . . 0.0 110.007 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 22.9 ptt180 -66.21 -24.71 66.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.126 -0.984 . . . . 0.0 108.954 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -77.4 -1.39 29.89 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.58 -0.7 . . . . 0.0 109.424 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 21.05 66.1 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -57.43 -39.76 76.91 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.279 -1.13 . . . . 0.0 109.375 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.613 ' SG ' HD12 ' A' ' 24' ' ' LEU . 50.4 m -64.91 -21.53 66.84 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -95.36 0.5 53.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.631 -0.668 . . . . 0.0 110.097 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -99.17 113.37 25.58 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.004 -1.06 . . . . 0.0 109.072 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.56 ' HA ' HD12 ' A' ' 35' ' ' LEU . 82.9 m-20 -56.77 -34.13 67.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 109.147 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -66.38 -24.51 66.5 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.52 -0.738 . . . . 0.0 110.15 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -110.58 -3.49 15.92 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.084 -1.01 . . . . 0.0 109.777 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.7 mt -52.85 -46.2 67.73 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.227 -0.92 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.23 -37.51 85.69 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.886 . . . . 0.0 108.658 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -60.54 -40.17 90.58 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.484 -0.76 . . . . 0.0 109.417 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.576 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.3 mmt -72.0 -45.46 60.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.104 -0.997 . . . . 0.0 109.393 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.61 -27.72 49.6 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.123 -1.991 . . . . 0.0 108.123 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -95.13 -53.29 3.86 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.906 -0.761 . . . . 0.0 110.125 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -78.52 -48.38 15.39 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 110.914 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.5 m -137.43 75.41 45.34 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 120.753 -1.217 . . . . 0.0 110.994 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.01 -34.25 29.62 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.375 2.05 . . . . 0.0 111.281 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.5 t -78.83 -42.37 24.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.442 -0.786 . . . . 0.0 109.519 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.427 HG21 ' HB3' ' A' ' 20' ' ' CYS . 53.4 m -57.51 -39.8 77.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.326 -0.859 . . . . 0.0 110.52 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.576 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 59.3 m -86.48 -0.61 56.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.978 -1.076 . . . . 0.0 111.015 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.25 35.72 37.05 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 119.693 -1.241 . . . . 0.0 110.573 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.1 m-30 -104.85 -14.49 15.48 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.19 -1.182 . . . . 0.0 108.232 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 t -151.37 174.8 12.91 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -105.93 153.64 39.98 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.178 -0.951 . . . . 0.0 109.454 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 41.4 Cg_endo . . . . . 0 C--N 1.306 -1.667 0 C-N-CA 122.571 2.181 . . . . 0.0 112.238 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.559 ' O ' ' O ' ' A' ' 2' ' ' ASP . 81.9 m-20 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.305 0.574 . . . . 0.0 109.532 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.559 ' O ' ' O ' ' A' ' 1' ' ' ASN . 68.1 m-20 54.36 123.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.48 -0.762 . . . . 0.0 109.918 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 3' ' ' ILE . 25.2 mm -79.49 -3.58 6.24 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.312 -0.867 . . . . 0.0 108.899 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -54.68 -28.96 51.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.266 -0.896 . . . . 0.0 109.31 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -73.1 4.81 3.95 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.39 -0.819 . . . . 0.0 109.59 -179.614 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.31 -5.7 37.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.161 -0.962 . . . . 0.0 109.386 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.63 126.55 30.54 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.275 -0.891 . . . . 0.0 109.298 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -116.37 -0.89 12.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -0.88 . . . . 0.0 109.486 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.98 31.41 10.94 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.12 -0.988 . . . . 0.0 108.979 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -68.28 -12.67 61.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.39 -0.819 . . . . 0.0 109.825 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -100.98 119.59 38.95 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.993 -1.067 . . . . 0.0 109.354 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.0 m -117.37 143.01 46.42 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.39 152.57 49.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.003 -1.061 . . . . 0.0 110.04 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.467 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 86.9 m-20 -72.13 138.54 47.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.325 -0.859 . . . . 0.0 109.202 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.26 140.09 56.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.008 -1.057 . . . . 0.0 109.176 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -86.14 -25.25 25.85 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.305 -0.872 . . . . 0.0 109.919 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.27 -13.36 38.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.061 -1.024 . . . . 0.0 109.788 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -107.27 129.13 54.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.142 -0.974 . . . . 0.0 108.739 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -79.24 107.18 11.81 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.155 -0.966 . . . . 0.0 108.773 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 m -80.98 -34.95 32.66 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.755 -0.591 . . . . 0.0 109.563 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -43.99 94.18 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.181 -0.949 . . . . 0.0 108.586 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 16.9 ttt180 -66.05 -47.35 74.63 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.288 -0.883 . . . . 0.0 109.563 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.3 p -67.78 -34.68 77.27 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.222 -0.924 . . . . 0.0 109.237 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.653 HD12 ' SG ' ' A' ' 29' ' ' CYS . 27.6 tp -64.66 -50.5 66.8 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.257 -0.902 . . . . 0.0 110.091 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 36.0 ptt180 -66.41 -24.31 66.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 109.206 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -78.08 -2.14 35.88 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.521 -0.737 . . . . 0.0 109.396 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.7 22.35 62.07 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.9 t0 -60.31 -38.76 84.69 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.361 -1.082 . . . . 0.0 109.391 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.653 ' SG ' HD12 ' A' ' 24' ' ' LEU . 22.3 m -67.41 -20.9 65.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.044 -1.035 . . . . 0.0 108.704 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -94.52 0.69 55.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.412 -0.805 . . . . 0.0 109.962 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -100.77 114.4 28.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.085 -1.009 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.582 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.4 m-20 -57.42 -33.93 68.4 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.349 -0.844 . . . . 0.0 109.234 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -67.94 -22.96 65.02 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.458 -0.776 . . . . 0.0 109.925 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 18.2 mttm -111.13 -1.51 16.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.208 -0.933 . . . . 0.0 109.657 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.4 mt -56.87 -45.32 82.57 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.357 -0.839 . . . . 0.0 109.16 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.19 -38.03 89.2 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.439 -0.788 . . . . 0.0 109.072 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -61.92 -41.62 98.14 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.357 -0.839 . . . . 0.0 109.147 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.564 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.9 mmt -69.62 -45.24 68.97 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.177 -0.952 . . . . 0.0 109.869 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.07 -27.66 60.15 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 29.5 t80 -94.16 -49.16 5.88 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.604 -0.939 . . . . 0.0 110.102 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -82.94 -52.69 6.45 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.236 -0.915 . . . . 0.0 110.879 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 19.1 m -131.14 71.66 81.97 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 120.873 -1.142 . . . . 0.0 110.96 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.71 -34.02 42.39 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.463 2.109 . . . . 0.0 111.597 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.9 t -78.25 -42.85 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.585 -0.697 . . . . 0.0 110.054 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.467 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 63.6 m -61.31 -36.51 80.3 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -0.975 . . . . 0.0 110.925 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.564 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 58.4 m -86.56 -5.86 59.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.932 -1.105 . . . . 0.0 110.296 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.35 35.56 22.98 Favored Glycine 0 N--CA 1.493 2.463 0 C-N-CA 119.829 -1.176 . . . . 0.0 110.918 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.7 m-30 -105.65 -11.61 16.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.79 -1.418 . . . . 0.0 107.999 178.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -153.77 176.23 12.38 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.37 157.88 33.44 Favored Pre-proline 0 C--N 1.302 -1.468 0 O-C-N 121.409 -0.807 . . . . 0.0 109.521 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo . . . . . 0 C--N 1.306 -1.696 0 C-N-CA 122.608 2.205 . . . . 0.0 111.82 179.713 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.512 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 54.7 p30 -70.06 156.83 38.59 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.945 -1.097 . . . . 0.0 109.62 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 3' ' ' ILE . 36.4 mm -82.7 -3.38 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.232 -0.917 . . . . 0.0 108.832 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -76.61 0.7 19.21 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.576 -0.702 . . . . 0.0 109.608 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.8 t -81.48 0.83 36.05 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.365 -0.834 . . . . 0.0 109.067 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 7' ' ' ALA . . . -78.56 -5.45 52.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.446 -0.784 . . . . 0.0 109.5 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . 48.37 -177.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.172 -0.955 . . . . 0.0 109.107 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 53.5 t0 -150.98 4.07 0.46 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.032 -1.042 . . . . 0.0 109.516 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.3 mmm 53.56 20.56 2.15 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.415 -0.803 . . . . 0.0 109.889 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -63.64 -26.92 68.9 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.236 -0.915 . . . . 0.0 109.03 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -101.05 120.97 40.98 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.328 -0.857 . . . . 0.0 109.137 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.6 m -105.75 136.42 45.4 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.539 -0.726 . . . . 0.0 109.221 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.46 151.42 49.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.273 -0.892 . . . . 0.0 109.796 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.439 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 79.1 m-20 -70.95 140.55 50.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.89 . . . . 0.0 109.296 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 135.01 57.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.035 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -82.09 -20.76 37.49 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.173 -0.954 . . . . 0.0 109.688 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -94.34 -6.48 44.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.165 -0.959 . . . . 0.0 110.421 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -108.49 129.82 55.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.106 -0.996 . . . . 0.0 109.532 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -75.82 85.25 2.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 108.966 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.3 m -69.63 -34.69 74.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.481 -0.762 . . . . 0.0 109.435 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.88 -44.21 91.1 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 25.8 ttt-85 -67.95 -47.64 68.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.517 -0.739 . . . . 0.0 109.795 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.1 p -65.27 -35.16 80.19 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.199 -0.938 . . . . 0.0 109.343 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.619 HD12 ' SG ' ' A' ' 29' ' ' CYS . 25.1 tp -64.55 -51.7 61.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.55 -0.719 . . . . 0.0 109.918 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 23.2 ptt180 -65.65 -23.91 66.9 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.228 -0.92 . . . . 0.0 109.005 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -78.21 -1.04 30.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.335 -0.853 . . . . 0.0 109.497 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.08 22.23 66.13 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -60.06 -41.25 91.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.403 -1.057 . . . . 0.0 109.696 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.619 ' SG ' HD12 ' A' ' 24' ' ' LEU . 32.4 m -64.25 -20.21 65.9 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.095 -1.003 . . . . 0.0 108.876 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -96.16 2.05 52.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.421 -0.799 . . . . 0.0 110.093 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 50.2 t-20 -100.31 113.74 26.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.148 -0.97 . . . . 0.0 109.187 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.603 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.0 m-20 -55.92 -33.77 64.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.299 -0.876 . . . . 0.0 109.205 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -67.33 -23.41 65.62 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.641 -0.662 . . . . 0.0 110.469 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HG3' ' ND2' ' A' ' 31' ' ' ASN . 22.1 mttt -111.73 -1.08 15.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.174 -0.954 . . . . 0.0 109.809 -179.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 32' ' ' ASP . 16.4 mt -58.48 -43.96 89.17 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.405 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.9 -40.12 91.22 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.249 -0.907 . . . . 0.0 108.918 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.73 -38.83 89.37 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.416 -0.802 . . . . 0.0 108.997 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.568 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 36.3 mmt -68.55 -47.82 65.87 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.378 -0.826 . . . . 0.0 109.801 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.79 -23.71 51.38 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -93.18 -52.17 4.68 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.853 -0.792 . . . . 0.0 110.468 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -82.15 -56.57 3.85 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.129 -0.982 . . . . 0.0 111.035 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.5 m -128.54 73.78 80.44 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 120.941 -1.099 . . . . 0.0 110.963 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.99 -32.46 53.9 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.395 2.063 . . . . 0.0 111.009 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.3 t -80.09 -44.36 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.557 -0.714 . . . . 0.0 109.708 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.439 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 61.7 m -56.54 -38.06 71.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.148 -0.97 . . . . 0.0 110.314 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.568 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 63.5 m -86.3 -5.85 59.09 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.041 -1.037 . . . . 0.0 110.443 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.29 34.95 27.94 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.26 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 18.0 m-85 -104.23 -16.72 15.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.61 -1.524 . . . . 0.0 108.006 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t -143.4 175.62 9.78 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.345 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -102.57 151.2 38.21 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.0 109.228 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo . . . . . 0 N--CA 1.495 1.596 0 C-N-CA 122.552 2.168 . . . . 0.0 112.283 -179.49 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.1 m120 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.323 0.582 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -70.63 143.79 51.34 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.377 -0.827 . . . . 0.0 109.876 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.516 ' O ' HG22 ' A' ' 3' ' ' ILE . 80.0 mt -78.66 -5.03 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.21 -0.931 . . . . 0.0 109.856 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.503 ' C ' ' H ' ' A' ' 6' ' ' ALA . 78.0 mtm180 -56.38 -29.44 61.46 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.119 -0.988 . . . . 0.0 109.101 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -65.62 5.71 0.41 Allowed 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.408 -0.807 . . . . 0.0 109.523 -179.665 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 4' ' ' ARG . . . -68.95 -1.73 8.09 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.29 -0.881 . . . . 0.0 109.069 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.62 145.73 38.6 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.231 -0.918 . . . . 0.0 109.193 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.496 ' C ' ' OD1' ' A' ' 8' ' ' ASP . 43.6 p30 -98.4 6.04 47.61 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.451 -0.781 . . . . 0.0 108.979 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 42.43 23.29 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.425 -0.797 . . . . 0.0 109.848 179.695 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 8' ' ' ASP . 81.7 tt0 -70.02 -13.06 62.05 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.215 -0.928 . . . . 0.0 109.465 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -102.32 122.47 44.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 109.181 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.3 m -102.69 139.52 38.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.485 -0.76 . . . . 0.0 109.065 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.05 151.81 50.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.922 . . . . 0.0 109.894 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.514 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.0 m-20 -74.15 140.57 45.28 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.289 -0.882 . . . . 0.0 109.302 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 136.33 57.23 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.215 -0.928 . . . . 0.0 108.902 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -82.61 -26.69 32.03 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.271 -0.893 . . . . 0.0 109.173 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -90.45 -4.85 56.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.445 -0.784 . . . . 0.0 110.159 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -107.72 128.9 54.98 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.053 -1.029 . . . . 0.0 109.224 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -76.27 84.91 3.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.125 -0.985 . . . . 0.0 108.531 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -69.82 -35.52 74.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.4 -0.812 . . . . 0.0 109.455 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -57.08 -44.61 83.27 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 20.3 ttt-85 -68.01 -46.82 70.19 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.344 -0.847 . . . . 0.0 109.847 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.7 p -66.19 -34.23 77.56 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.187 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.656 HD12 ' SG ' ' A' ' 29' ' ' CYS . 27.9 tp -65.88 -49.58 67.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.324 -0.86 . . . . 0.0 110.592 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 27.3 ptt180 -68.02 -21.15 65.05 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.076 -1.015 . . . . 0.0 109.127 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -80.4 -2.97 47.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.584 -0.698 . . . . 0.0 109.269 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.5 20.48 61.96 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 22.5 t0 -58.52 -40.26 82.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -1.116 . . . . 0.0 109.623 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.656 ' SG ' HD12 ' A' ' 24' ' ' LEU . 27.4 m -66.79 -18.42 65.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.129 -0.982 . . . . 0.0 108.848 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -98.05 0.63 46.56 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.427 -0.796 . . . . 0.0 110.269 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -99.08 116.2 30.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.183 -0.948 . . . . 0.0 109.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.612 ' HA ' HD12 ' A' ' 35' ' ' LEU . 85.5 m-20 -58.02 -34.21 69.79 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.08 -1.012 . . . . 0.0 109.238 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -65.93 -24.73 66.89 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.375 -0.828 . . . . 0.0 110.033 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 40.6 mttt -110.7 -1.44 16.72 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.097 -1.002 . . . . 0.0 109.876 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.6 mt -53.87 -45.53 71.04 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.231 -0.918 . . . . 0.0 109.455 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -66.26 -36.89 84.16 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.275 -0.891 . . . . 0.0 109.434 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.12 -40.92 97.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.193 -0.942 . . . . 0.0 109.435 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.67 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 36.9 mmt -70.14 -45.8 66.07 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.396 -0.815 . . . . 0.0 109.882 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.17 -26.95 56.94 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -94.39 -55.38 3.19 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.571 -0.958 . . . . 0.0 110.839 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -78.15 -48.82 15.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.244 -0.91 . . . . 0.0 110.787 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.3 m -132.52 72.6 77.79 Favored Pre-proline 0 N--CA 1.489 1.487 0 C-N-CA 119.196 -1.002 . . . . 0.0 110.706 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.49 -34.32 26.5 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.355 2.037 . . . . 0.0 111.204 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.9 t -79.13 -44.22 24.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.686 -0.634 . . . . 0.0 109.57 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.514 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 54.8 m -56.86 -39.43 74.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.561 -0.712 . . . . 0.0 110.724 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.67 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 76.4 m -86.09 -13.23 47.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.087 -1.008 . . . . 0.0 110.499 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.57 34.9 9.78 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.748 -1.215 . . . . 0.0 111.766 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' A' ' 46' ' ' CYS . 38.8 m-85 -102.5 -14.8 16.67 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.788 -1.419 . . . . 0.0 107.41 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t -146.14 177.07 9.26 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.28 149.6 39.96 Favored Pre-proline 0 C--N 1.302 -1.485 0 O-C-N 121.189 -0.944 . . . . 0.0 109.022 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 C--N 1.305 -1.746 0 C-N-CA 121.975 1.784 . . . . 0.0 111.992 -179.872 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -72.05 133.84 45.5 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.252 -0.905 . . . . 0.0 109.572 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.447 ' O ' HG22 ' A' ' 3' ' ' ILE . 30.4 mm -77.72 -0.49 3.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.321 -0.862 . . . . 0.0 109.277 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -77.15 -3.09 37.71 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.102 -0.998 . . . . 0.0 109.642 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t -73.88 -0.11 14.99 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.108 -0.995 . . . . 0.0 108.841 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.45 2.82 27.05 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.341 -0.849 . . . . 0.0 109.473 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.64 141.53 9.56 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.275 -0.891 . . . . 0.0 109.731 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' A' ' 10' ' ' GLU . 84.0 m-20 -99.29 12.17 37.01 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.401 -0.812 . . . . 0.0 108.986 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.16 12.82 0.19 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.283 -0.886 . . . . 0.0 109.667 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 8' ' ' ASP . 46.0 tp10 -68.52 -20.8 64.59 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.612 -0.68 . . . . 0.0 109.385 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -101.24 126.55 47.98 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.286 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.468 ' O ' HG21 ' A' ' 44' ' ' VAL . 3.6 m -107.99 156.57 19.08 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.76 150.61 48.48 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.095 -1.003 . . . . 0.0 109.745 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.549 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.9 m-20 -66.99 134.84 52.77 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.35 -0.844 . . . . 0.0 109.111 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 138.97 55.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.207 -0.933 . . . . 0.0 109.401 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' NZ ' ' OD1' ' A' ' 17' ' ' ASN . 8.7 pttm -85.46 -22.26 28.34 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.364 -0.835 . . . . 0.0 109.221 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.475 ' OD1' ' NZ ' ' A' ' 16' ' ' LYS . 33.8 m120 -88.88 -10.36 48.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.231 -0.918 . . . . 0.0 109.042 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -107.92 133.92 51.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.021 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -81.4 86.34 6.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.001 -1.062 . . . . 0.0 108.718 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -68.39 -36.52 79.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.203 -0.936 . . . . 0.0 109.874 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.426 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.28 -45.32 91.55 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 16.6 ttt-85 -69.32 -47.24 65.01 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.185 -0.947 . . . . 0.0 109.188 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -61.89 -37.64 85.35 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.335 -0.853 . . . . 0.0 109.597 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' SG ' ' A' ' 29' ' ' CYS . 40.9 tp -62.59 -49.29 75.82 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.291 -0.88 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 8.3 ptm180 -67.24 -22.73 65.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.963 -1.086 . . . . 0.0 108.872 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -77.79 -1.51 31.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.504 -0.748 . . . . 0.0 109.33 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.43 22.42 64.89 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.448 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 19.8 t0 -59.19 -40.26 85.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -1.061 . . . . 0.0 109.072 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' HD12 ' A' ' 24' ' ' LEU . 21.2 m -67.03 -21.06 65.94 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -94.59 -0.77 54.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.409 -0.807 . . . . 0.0 110.132 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.466 HD22 ' HE3' ' A' ' 34' ' ' LYS . 59.6 t-20 -98.95 114.5 27.16 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.892 -1.13 . . . . 0.0 109.24 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.597 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.2 m-20 -57.23 -32.28 66.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 0.0 109.029 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -68.51 -22.07 64.55 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.698 -0.626 . . . . 0.0 110.326 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HE3' HD22 ' A' ' 31' ' ' ASN . 32.4 mttt -113.16 -2.11 14.2 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.089 -1.007 . . . . 0.0 109.41 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 32' ' ' ASP . 15.0 mt -55.7 -44.31 77.3 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.251 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.15 -38.6 91.12 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.252 -0.905 . . . . 0.0 108.841 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -61.93 -39.0 90.55 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.323 -0.861 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.553 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.4 mmt -70.67 -48.28 55.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.485 -0.76 . . . . 0.0 109.707 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.37 -26.33 50.91 Favored Glycine 0 N--CA 1.485 1.952 0 N-CA-C 108.265 -1.934 . . . . 0.0 108.265 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -95.27 -54.39 3.43 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.49 -1.006 . . . . 0.0 110.599 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -80.93 -48.54 12.18 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.103 -0.998 . . . . 0.0 111.071 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.3 m -131.83 69.45 81.06 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 120.99 -1.069 . . . . 0.0 110.779 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' MET . 40.2 Cg_endo -67.47 -33.95 27.7 Favored 'Trans proline' 0 C--N 1.303 -1.86 0 C-N-CA 122.424 2.083 . . . . 0.0 111.668 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 12' ' ' CYS . 94.0 t -78.61 -41.84 25.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.52 -0.737 . . . . 0.0 110.039 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.549 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 33.9 m -61.83 -38.25 87.49 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.251 -0.906 . . . . 0.0 110.712 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.553 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 67.4 m -85.8 0.33 53.22 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.158 -0.964 . . . . 0.0 110.636 -178.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.43 38.75 32.47 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 120.015 -1.088 . . . . 0.0 110.726 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -109.15 -12.47 14.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.181 -1.188 . . . . 0.0 108.224 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.4 m -131.49 163.35 28.18 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -103.72 113.59 65.38 Favored Pre-proline 0 C--N 1.302 -1.478 0 O-C-N 121.231 -0.918 . . . . 0.0 109.755 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo . . . . . 0 C--N 1.312 -1.368 0 C-N-CA 122.315 2.01 . . . . 0.0 112.307 179.909 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 48.3 t30 . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -82.83 131.78 35.18 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.334 -0.854 . . . . 0.0 110.024 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.533 ' O ' HG22 ' A' ' 3' ' ' ILE . 84.4 mt -75.48 -2.37 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.403 -0.811 . . . . 0.0 109.396 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -75.07 2.16 11.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.215 -0.928 . . . . 0.0 109.141 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 5' ' ' THR . 1.1 t -77.55 7.15 5.9 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.416 -0.803 . . . . 0.0 108.942 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.44 -1.34 6.32 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.71 147.17 33.96 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.444 -0.785 . . . . 0.0 109.2 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -97.46 6.99 47.35 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.226 -0.921 . . . . 0.0 109.656 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.56 10.13 21.5 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.016 -1.052 . . . . 0.0 109.466 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -72.8 -18.33 61.48 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.467 -0.771 . . . . 0.0 109.467 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -102.64 124.88 48.99 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.321 -0.862 . . . . 0.0 109.495 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 79.1 m -110.13 147.26 34.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.521 -0.737 . . . . 0.0 109.314 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.38 153.22 50.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.095 -1.003 . . . . 0.0 109.699 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.603 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 50.2 p30 -75.81 138.96 41.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.039 -1.038 . . . . 0.0 108.823 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -59.78 140.91 56.19 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.034 -1.041 . . . . 0.0 109.798 -179.499 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -85.8 -25.26 26.43 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.239 -0.913 . . . . 0.0 109.376 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -86.72 -2.92 58.93 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.223 -0.923 . . . . 0.0 109.503 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -113.2 132.58 55.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.452 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -79.78 84.98 5.51 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.099 -1.0 . . . . 0.0 108.783 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.2 m -71.67 -36.18 70.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.512 -0.742 . . . . 0.0 109.797 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.08 -48.16 82.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.287 -0.883 . . . . 0.0 108.888 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.54 ' HE ' HH21 ' A' ' 25' ' ' ARG . 10.8 ttm180 -68.26 -46.12 71.3 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.212 -0.93 . . . . 0.0 109.551 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -62.17 -35.74 79.75 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.22 -0.925 . . . . 0.0 109.073 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.517 HD12 ' SG ' ' A' ' 29' ' ' CYS . 41.1 tp -65.46 -47.37 76.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.466 -0.771 . . . . 0.0 110.394 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.54 HH21 ' HE ' ' A' ' 22' ' ' ARG . 40.9 ptt85 -69.68 -19.41 63.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.932 -1.105 . . . . 0.0 109.019 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -82.14 -1.04 47.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.418 -0.802 . . . . 0.0 109.246 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.72 23.58 59.77 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 14.5 t0 -59.54 -40.49 87.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.229 -1.159 . . . . 0.0 109.222 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.517 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.3 m -65.42 -20.31 66.31 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.34 -0.85 . . . . 0.0 108.818 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -96.18 -1.12 48.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.515 -0.74 . . . . 0.0 110.135 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -98.7 114.28 26.71 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.011 -1.055 . . . . 0.0 109.057 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.56 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.1 m-20 -56.94 -34.38 67.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 109.547 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.55 -23.21 65.4 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.514 -0.741 . . . . 0.0 109.896 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 19.5 mttt -109.8 -1.71 17.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.116 -0.99 . . . . 0.0 109.762 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 32' ' ' ASP . 15.5 mt -56.4 -44.05 79.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.124 -0.985 . . . . 0.0 109.717 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.65 -40.41 92.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.124 -0.985 . . . . 0.0 109.006 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -59.65 -39.56 84.83 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.352 -0.842 . . . . 0.0 109.098 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.528 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.22 -46.7 63.99 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.203 -0.936 . . . . 0.0 109.73 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.59 -28.28 56.01 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 33.7 t80 -94.44 -56.81 2.68 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.778 -0.836 . . . . 0.0 110.065 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.559 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 84.4 m-85 -77.28 -42.85 35.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.0 111.298 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.505 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -139.63 71.34 37.4 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 120.504 -1.373 . . . . 0.0 111.488 -178.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.12 -34.8 27.23 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.514 2.143 . . . . 0.0 111.571 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.2 t -77.69 -43.87 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.517 -0.739 . . . . 0.0 109.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.8 m -59.4 -39.24 82.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.419 -0.801 . . . . 0.0 110.908 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 64.4 m -86.65 -0.48 56.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.994 -1.066 . . . . 0.0 110.881 -178.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.11 36.95 33.81 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.68 -1.248 . . . . 0.0 110.461 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.4 m-30 -106.75 -11.23 15.85 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.961 -1.317 . . . . 0.0 108.561 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t -154.37 175.89 12.99 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.523 -0.736 . . . . 0.0 109.421 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 50' ' ' GLU . 26.1 mp0 -103.12 151.57 38.49 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.259 -0.9 . . . . 0.0 109.459 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 26.2 Cg_endo . . . . . 0 C--N 1.308 -1.59 0 C-N-CA 122.743 2.295 . . . . 0.0 112.282 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.285 0.564 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -76.21 130.31 38.03 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.343 -0.848 . . . . 0.0 109.265 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.565 ' O ' HG22 ' A' ' 3' ' ' ILE . 82.6 mt -71.76 0.56 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.294 -0.879 . . . . 0.0 109.941 -179.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -79.69 0.49 30.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.948 -1.095 . . . . 0.0 109.205 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 t -79.74 -0.98 36.54 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.86 0.66 17.41 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.515 -0.741 . . . . 0.0 109.422 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.41 143.33 35.13 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.903 . . . . 0.0 109.954 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' C ' ' OD1' ' A' ' 8' ' ' ASP . 56.2 p30 -147.83 14.89 1.07 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.6 mmm 56.88 17.97 3.59 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.662 -0.649 . . . . 0.0 110.291 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -69.4 -8.05 43.04 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -101.7 122.16 43.4 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.284 -0.885 . . . . 0.0 109.108 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.2 m -99.87 143.05 30.54 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.446 -0.784 . . . . 0.0 109.312 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.17 151.86 49.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.349 -0.844 . . . . 0.0 109.673 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.477 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 85.7 m-20 -70.27 139.51 52.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.197 -0.939 . . . . 0.0 109.408 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -61.34 141.05 57.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.077 -1.014 . . . . 0.0 109.625 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -85.48 -24.66 27.28 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.435 -0.79 . . . . 0.0 109.845 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.79 -2.92 58.84 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.272 -0.893 . . . . 0.0 109.648 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -112.97 136.0 53.12 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.441 -0.787 . . . . 0.0 109.422 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -82.73 84.98 7.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.127 -0.983 . . . . 0.0 109.193 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -69.29 -37.07 77.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.218 -0.926 . . . . 0.0 109.541 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -58.83 -45.62 89.58 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 13.4 ttt180 -70.1 -44.59 68.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.339 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.0 m -64.16 -36.64 84.72 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.346 -0.847 . . . . 0.0 109.538 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.4 tp -63.32 -49.05 75.48 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.143 -0.973 . . . . 0.0 110.304 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 28.5 ptt180 -68.13 -23.55 64.91 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.11 -0.994 . . . . 0.0 109.094 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -77.1 -2.16 32.79 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.66 20.85 67.68 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 108.871 -1.692 . . . . 0.0 108.871 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 14.5 t0 -57.94 -39.68 78.65 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.389 -1.065 . . . . 0.0 109.195 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.59 ' SG ' HD12 ' A' ' 24' ' ' LEU . 34.2 m -66.31 -19.53 65.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.876 . . . . 0.0 108.684 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -98.28 2.35 48.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.481 -0.762 . . . . 0.0 110.27 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.503 HD22 ' HE3' ' A' ' 34' ' ' LYS . 55.0 t-20 -100.4 116.66 32.89 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.126 -0.983 . . . . 0.0 109.671 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.633 ' HA ' HD12 ' A' ' 35' ' ' LEU . 82.4 m-20 -57.5 -34.82 69.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.397 -0.814 . . . . 0.0 108.938 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -66.35 -27.92 68.26 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.63 -0.668 . . . . 0.0 110.196 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.503 ' HE3' HD22 ' A' ' 31' ' ' ASN . 65.4 mttt -108.37 -2.71 18.91 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.099 -1.0 . . . . 0.0 110.019 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.1 mt -51.79 -44.74 63.55 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.201 -0.937 . . . . 0.0 109.239 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.84 -38.35 83.07 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.195 -0.94 . . . . 0.0 109.259 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.75 -39.43 88.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.199 -0.938 . . . . 0.0 109.074 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.6 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -71.16 -47.93 54.84 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.219 -0.925 . . . . 0.0 109.852 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.51 -28.82 45.98 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.504 -1.838 . . . . 0.0 108.504 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -94.96 -56.93 2.58 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.545 -0.973 . . . . 0.0 110.321 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.543 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 69.5 m-85 -74.84 -40.29 61.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.179 -0.95 . . . . 0.0 111.249 -178.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.1 m -142.28 69.97 22.19 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 120.707 -1.246 . . . . 0.0 111.094 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -65.46 -33.45 46.76 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.595 2.197 . . . . 0.0 111.735 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.6 t -80.5 -43.85 21.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.488 -0.758 . . . . 0.0 110.34 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.477 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 41.6 m -59.46 -38.53 80.99 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.255 -0.903 . . . . 0.0 110.711 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.6 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 93.2 m -85.96 -11.5 52.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.922 -1.111 . . . . 0.0 110.613 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.53 41.01 7.51 Favored Glycine 0 N--CA 1.491 2.32 0 C-N-CA 119.734 -1.222 . . . . 0.0 111.854 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.549 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 38.1 m-85 -108.12 -15.93 14.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.829 -1.395 . . . . 0.0 108.059 177.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.8 t -142.34 176.11 9.25 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.558 ' N ' ' OE1' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -99.54 153.85 37.57 Favored Pre-proline 0 C--N 1.3 -1.545 0 O-C-N 121.277 -0.889 . . . . 0.0 109.147 179.731 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 C--N 1.307 -1.652 0 C-N-CA 122.64 2.226 . . . . 0.0 112.178 -179.856 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 49.4 t30 . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -77.94 129.78 35.74 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.26 -0.9 . . . . 0.0 109.716 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.503 ' O ' HG22 ' A' ' 3' ' ' ILE . 81.5 mt -74.01 -4.52 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -0.85 . . . . 0.0 110.034 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -76.72 2.55 13.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.163 -0.961 . . . . 0.0 109.127 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 t -75.31 5.32 5.76 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.386 -0.821 . . . . 0.0 109.03 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.06 -5.34 43.61 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.507 -0.745 . . . . 0.0 109.648 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.71 144.35 56.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.245 -0.91 . . . . 0.0 109.824 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.545 ' C ' ' H ' ' A' ' 10' ' ' GLU . 47.0 p30 -112.27 13.84 20.45 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 76.6 mmm -65.8 13.79 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.63 -0.669 . . . . 0.0 110.139 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' A' ' 8' ' ' ASP . 87.7 tt0 -82.03 -13.45 57.35 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.209 -0.932 . . . . 0.0 108.863 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -103.93 123.43 47.14 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.339 -0.851 . . . . 0.0 109.106 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.49 ' O ' HG21 ' A' ' 44' ' ' VAL . 3.9 m -110.4 157.03 20.0 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.31 149.67 48.52 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.026 -1.046 . . . . 0.0 109.571 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.516 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 51.6 p30 -65.64 142.28 58.11 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.358 -0.838 . . . . 0.0 109.399 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.36 138.18 57.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.149 -0.969 . . . . 0.0 109.393 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.639 ' HZ3' ' ND2' ' A' ' 17' ' ' ASN . 2.6 pttm -85.41 -21.13 28.92 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.332 -0.855 . . . . 0.0 109.241 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.639 ' ND2' ' HZ3' ' A' ' 16' ' ' LYS . 34.2 m120 -90.05 -9.88 46.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.303 -0.873 . . . . 0.0 109.471 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -111.11 135.42 51.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.41 -0.806 . . . . 0.0 108.965 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -80.63 84.85 6.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.025 -1.047 . . . . 0.0 109.426 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 m -66.66 -33.34 75.43 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.354 -0.841 . . . . 0.0 109.106 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.533 HH12 ' NH1' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -61.69 -48.28 81.49 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.608 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 13.5 ttt180 -66.66 -46.83 74.44 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.385 -0.822 . . . . 0.0 109.858 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -63.79 -37.04 85.91 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.14 -0.975 . . . . 0.0 109.182 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD12 ' SG ' ' A' ' 29' ' ' CYS . 32.0 tp -63.08 -50.24 71.34 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.204 -0.935 . . . . 0.0 110.267 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.533 ' NH1' HH12 ' A' ' 21' ' ' ARG . 41.1 ptt180 -65.98 -21.94 66.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.064 -1.022 . . . . 0.0 108.818 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -79.95 -2.35 43.52 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.569 -0.707 . . . . 0.0 109.248 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.41 21.29 64.87 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.414 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 10.1 t0 -58.25 -39.36 78.95 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.399 -1.06 . . . . 0.0 109.292 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.571 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.9 m -67.11 -21.01 65.87 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.309 -0.87 . . . . 0.0 108.668 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -95.13 -0.65 53.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.436 -0.79 . . . . 0.0 109.844 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.427 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 64.5 t-20 -96.72 115.67 27.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.091 -1.005 . . . . 0.0 108.979 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.563 ' HA ' HD12 ' A' ' 35' ' ' LEU . 82.3 m-20 -59.16 -32.95 70.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.201 -0.937 . . . . 0.0 108.938 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 63.7 t0 -67.93 -21.99 65.08 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.552 -0.717 . . . . 0.0 110.097 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HG3' ' ND2' ' A' ' 31' ' ' ASN . 18.9 mttt -112.29 -2.13 14.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.986 -1.071 . . . . 0.0 110.051 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.8 mt -54.6 -48.22 72.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.982 -1.074 . . . . 0.0 109.409 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.6 -39.27 93.43 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.351 -0.843 . . . . 0.0 108.853 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.33 -40.04 89.2 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.531 -0.73 . . . . 0.0 109.051 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.503 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.58 -45.62 65.02 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.245 -0.909 . . . . 0.0 109.6 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.07 -26.4 55.65 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 108.31 -1.916 . . . . 0.0 108.31 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -92.47 -54.01 3.97 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.713 -0.874 . . . . 0.0 110.247 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -82.32 -49.57 9.89 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 111.191 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.1 m -130.92 71.08 82.6 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.854 -1.154 . . . . 0.0 111.494 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.85 -33.02 28.01 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.574 2.183 . . . . 0.0 111.359 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 12' ' ' CYS . 65.3 t -79.04 -44.82 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.334 -0.854 . . . . 0.0 109.753 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.2 m -59.4 -37.78 78.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.298 -0.876 . . . . 0.0 110.901 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 61.4 m -86.1 -4.0 59.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.917 -1.114 . . . . 0.0 110.455 -178.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.59 36.74 22.25 Favored Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.798 -1.191 . . . . 0.0 111.19 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -106.03 -12.15 15.89 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.992 -1.299 . . . . 0.0 108.158 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.4 m -130.53 166.19 21.1 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 50' ' ' GLU . 4.1 mp0 -103.34 115.22 64.19 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.132 -0.98 . . . . 0.0 109.114 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.31 -1.492 0 C-N-CA 122.388 2.059 . . . . 0.0 112.342 -179.724 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -68.34 137.56 54.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 109.642 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.572 ' O ' HG22 ' A' ' 3' ' ' ILE . 83.4 mt -75.73 -0.93 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.347 -0.846 . . . . 0.0 109.015 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -71.66 0.71 8.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.395 -0.815 . . . . 0.0 109.483 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 t -99.65 -12.99 19.56 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.36 -0.838 . . . . 0.0 109.045 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.561 ' O ' ' O ' ' A' ' 7' ' ' ALA . . . -80.76 -1.19 41.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.367 -0.833 . . . . 0.0 109.329 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.561 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . 55.0 154.1 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.422 -0.799 . . . . 0.0 109.426 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' GLU . 88.0 m-20 -97.05 2.39 51.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.167 -0.958 . . . . 0.0 109.124 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.15 18.27 0.08 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.557 -0.714 . . . . 0.0 109.61 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' ASP . 85.2 tt0 -64.98 -32.19 73.79 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.215 -0.928 . . . . 0.0 109.106 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -103.32 120.52 40.92 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.358 -0.839 . . . . 0.0 108.951 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m -111.22 138.04 48.18 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 109.459 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.47 151.7 49.76 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.344 -0.848 . . . . 0.0 109.618 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.599 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 52.9 p30 -74.05 140.25 45.25 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.168 -0.958 . . . . 0.0 108.965 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 137.35 58.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.019 -1.051 . . . . 0.0 109.702 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -83.97 -24.36 30.67 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 109.395 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -89.54 -6.18 56.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.66 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -111.27 136.21 50.7 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.35 -0.844 . . . . 0.0 109.239 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -81.92 85.06 6.75 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.278 -0.889 . . . . 0.0 109.058 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.2 m -67.08 -34.42 77.61 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -61.39 -47.89 83.73 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.527 0.679 . . . . 0.0 109.244 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 23.4 ttt-85 -68.41 -45.54 72.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.251 -0.906 . . . . 0.0 109.348 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m -63.06 -35.23 79.56 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.392 -0.818 . . . . 0.0 109.41 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.594 HD12 ' SG ' ' A' ' 29' ' ' CYS . 33.8 tp -65.8 -50.36 64.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.213 -0.929 . . . . 0.0 110.31 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 22.4 ptt180 -67.59 -21.45 65.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.165 -0.959 . . . . 0.0 109.109 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -78.69 -3.2 42.94 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.41 -0.806 . . . . 0.0 108.918 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.01 21.42 61.17 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.0 t0 -58.38 -41.24 84.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -1.12 . . . . 0.0 109.59 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.594 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.1 m -65.01 -20.23 66.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.17 -0.956 . . . . 0.0 109.013 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.479 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 59.8 t0 -96.67 -0.61 48.16 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.439 -0.788 . . . . 0.0 110.136 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.501 HD22 ' HE3' ' A' ' 34' ' ' LYS . 57.4 t-20 -98.25 116.32 30.22 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.114 -0.991 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 35' ' ' LEU . 79.3 m-20 -58.14 -33.53 69.28 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.305 -0.872 . . . . 0.0 108.998 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -67.53 -23.17 65.41 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.625 -0.672 . . . . 0.0 109.981 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.501 ' HE3' HD22 ' A' ' 31' ' ' ASN . 74.5 mttt -113.11 1.49 15.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.067 -1.021 . . . . 0.0 109.775 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.509 HD21 ' O ' ' A' ' 29' ' ' CYS . 13.8 mt -58.71 -43.79 90.18 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.969 -1.082 . . . . 0.0 109.193 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.22 -38.8 88.8 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.323 -0.861 . . . . 0.0 108.705 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -60.7 -40.15 91.19 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.364 -0.835 . . . . 0.0 109.188 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.528 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.38 -47.94 58.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.412 -0.805 . . . . 0.0 109.935 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.23 -29.31 56.16 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.466 -1.854 . . . . 0.0 108.466 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 26.0 t80 -93.09 -51.55 4.99 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.542 -0.975 . . . . 0.0 110.351 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -81.1 -51.82 8.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.199 -0.938 . . . . 0.0 111.027 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.6 m -131.52 72.04 80.8 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 120.805 -1.185 . . . . 0.0 110.976 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.32 -32.77 32.05 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.61 2.207 . . . . 0.0 111.378 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.8 -44.63 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.583 -0.698 . . . . 0.0 109.732 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.3 m -60.15 -37.99 81.79 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.337 -0.852 . . . . 0.0 111.177 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 65.6 m -86.22 -4.43 59.17 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.871 -1.143 . . . . 0.0 110.783 -178.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.31 35.79 22.5 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.78 -1.2 . . . . 0.0 111.088 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.0 m-30 -107.25 -11.11 15.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.005 -1.291 . . . . 0.0 108.316 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 t -155.39 175.1 14.3 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.231 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -106.33 157.94 33.78 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 0.0 109.546 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo . . . . . 0 C--N 1.303 -1.848 0 C-N-CA 122.598 2.198 . . . . 0.0 112.097 179.783 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -71.91 144.41 48.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.265 -0.897 . . . . 0.0 109.18 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 3' ' ' ILE . 71.5 mt -78.16 -4.8 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.035 . . . . 0.0 109.354 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.442 ' HG2' HH11 ' A' ' 4' ' ' ARG . 76.5 mtt-85 -72.48 -2.39 19.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 0.0 109.155 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 5' ' ' THR . 1.2 t -78.89 6.25 9.63 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.503 -0.748 . . . . 0.0 109.332 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.46 -3.08 25.3 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.426 -0.796 . . . . 0.0 109.57 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.59 136.08 45.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.268 -0.895 . . . . 0.0 109.987 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.631 ' O ' ' N ' ' A' ' 10' ' ' GLU . 96.8 m-20 -110.21 5.9 22.21 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.273 -0.892 . . . . 0.0 109.795 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 41.78 17.11 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.252 -0.905 . . . . 0.0 109.633 -179.581 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 8' ' ' ASP . 87.7 tt0 -70.21 -6.33 33.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.467 -0.771 . . . . 0.0 109.485 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -101.54 123.96 46.43 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.1 -1.0 . . . . 0.0 109.591 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 m -114.74 163.47 15.43 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.03 149.91 47.75 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.777 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.498 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 84.4 m-20 -67.02 134.71 52.48 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.126 -0.984 . . . . 0.0 109.192 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.547 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -60.52 139.17 57.87 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.177 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -80.95 -28.23 35.76 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.885 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -87.07 -1.56 57.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.229 -0.919 . . . . 0.0 110.111 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -113.32 131.56 55.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.186 -0.946 . . . . 0.0 108.858 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -80.68 85.86 5.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.251 -0.906 . . . . 0.0 108.986 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.426 ' HB3' HG21 ' A' ' 45' ' ' THR . 10.5 m -68.99 -35.11 76.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.507 -0.746 . . . . 0.0 109.664 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.48 -47.91 84.06 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.767 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.558 ' HG3' HD21 ' A' ' 26' ' ' ASN . 6.6 ttp180 -69.4 -46.22 67.38 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.454 -0.779 . . . . 0.0 109.644 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 m -61.91 -37.11 83.39 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.265 -0.897 . . . . 0.0 109.047 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.683 HD12 ' SG ' ' A' ' 29' ' ' CYS . 24.8 tp -63.67 -49.48 73.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.388 -0.82 . . . . 0.0 110.41 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 43.5 ptt85 -68.5 -19.86 64.55 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.131 -0.981 . . . . 0.0 108.392 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.558 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.5 m-20 -80.2 -1.75 41.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.487 -0.758 . . . . 0.0 109.623 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.45 21.94 63.48 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.254 -1.539 . . . . 0.0 109.254 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.469 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 17.0 t0 -61.28 -41.43 96.93 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.292 -1.122 . . . . 0.0 109.632 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.683 ' SG ' HD12 ' A' ' 24' ' ' LEU . 41.0 m -64.56 -19.28 65.54 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.066 -1.021 . . . . 0.0 109.126 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -97.59 0.74 47.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.542 -0.724 . . . . 0.0 110.408 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -99.57 113.98 26.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.972 -1.08 . . . . 0.0 109.896 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.61 ' HA ' HD12 ' A' ' 35' ' ' LEU . 83.7 m-20 -56.35 -32.95 65.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.329 -0.857 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -69.46 -21.83 63.68 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.45 -0.781 . . . . 0.0 110.399 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 15.8 mttt -112.51 -2.43 14.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.954 -1.091 . . . . 0.0 109.712 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.8 mt -55.73 -42.96 76.11 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.044 -1.035 . . . . 0.0 109.33 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.58 -39.15 91.29 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.081 -1.012 . . . . 0.0 108.762 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -61.74 -39.35 91.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.41 -0.806 . . . . 0.0 109.14 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.547 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.6 mmt -70.17 -44.93 67.76 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.3 -0.875 . . . . 0.0 109.904 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.3 -27.17 65.01 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.707 -1.757 . . . . 0.0 108.707 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 27.6 t80 -94.57 -52.62 4.23 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.688 -0.89 . . . . 0.0 110.097 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.547 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 66.4 m-85 -79.05 -49.99 11.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.185 -0.947 . . . . 0.0 110.813 -178.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.0 m -137.25 74.63 48.23 Favored Pre-proline 0 N--CA 1.488 1.449 0 O-C-N 120.538 -1.351 . . . . 0.0 111.173 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.6 -32.62 30.6 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.456 2.104 . . . . 0.0 111.127 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.0 t -77.97 -42.41 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.468 -0.77 . . . . 0.0 109.406 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.498 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 68.7 m -59.18 -39.44 82.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.443 -0.786 . . . . 0.0 110.463 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.547 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 62.5 m -86.43 -4.82 59.24 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.092 -1.005 . . . . 0.0 110.95 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.91 36.33 19.09 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.823 -1.18 . . . . 0.0 110.792 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.6 m-30 -106.18 -12.33 15.77 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.215 -1.168 . . . . 0.0 107.92 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -130.08 167.69 17.93 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.406 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 50' ' ' GLU . 6.9 mp0 -103.48 113.93 65.25 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.283 -0.886 . . . . 0.0 109.366 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo . . . . . 0 C--N 1.312 -1.391 0 C-N-CA 122.083 1.855 . . . . 0.0 111.751 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.6 m120 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.256 0.551 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -65.01 140.52 58.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.307 -0.871 . . . . 0.0 109.23 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 3' ' ' ILE . 74.4 mt -75.13 1.52 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.182 -0.948 . . . . 0.0 109.626 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -78.41 3.58 15.37 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.248 -0.908 . . . . 0.0 108.972 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 t -83.44 -5.9 59.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.432 -0.793 . . . . 0.0 109.487 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.87 -5.63 59.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.188 -0.945 . . . . 0.0 109.612 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.59 144.76 51.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.193 -0.942 . . . . 0.0 110.097 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' GLU . 56.4 t0 -161.03 1.48 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.365 -0.834 . . . . 0.0 109.354 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 77.8 mmm 48.69 15.38 0.09 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.348 -0.845 . . . . 0.0 110.006 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 8' ' ' ASP . 84.4 tt0 -81.17 -14.45 57.61 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.297 -0.877 . . . . 0.0 109.364 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -103.52 123.05 46.19 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.146 -0.971 . . . . 0.0 109.621 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' O ' HG21 ' A' ' 44' ' ' VAL . 6.5 m -110.07 157.34 19.44 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.16 150.88 49.24 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.941 -1.099 . . . . 0.0 109.87 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.484 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 95.3 m-20 -68.46 133.07 48.07 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.317 -0.864 . . . . 0.0 109.406 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.63 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -59.52 139.94 56.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.38 -0.825 . . . . 0.0 109.166 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.734 ' NZ ' HD21 ' A' ' 17' ' ' ASN . 1.3 pttm -86.07 -20.35 28.89 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.301 -0.875 . . . . 0.0 109.498 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.734 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 67.7 m-80 -88.61 -5.17 58.33 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.907 . . . . 0.0 109.401 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -115.12 134.41 55.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.324 -0.86 . . . . 0.0 109.69 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -79.41 85.26 5.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.319 -0.863 . . . . 0.0 108.903 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.6 m -68.17 -35.03 77.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.384 -0.823 . . . . 0.0 109.598 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.765 ' CZ ' HH21 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.5 -48.95 75.5 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.566 -0.709 . . . . 0.0 109.339 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 20.5 ttt-85 -66.13 -45.45 81.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 109.361 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -64.08 -35.83 82.03 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.453 -0.779 . . . . 0.0 109.42 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.585 HD12 ' SG ' ' A' ' 29' ' ' CYS . 31.3 tp -64.33 -48.14 76.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.3 -0.875 . . . . 0.0 110.158 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.765 HH21 ' CZ ' ' A' ' 21' ' ' ARG . 8.8 ptp180 -66.3 -24.21 66.51 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.039 -1.038 . . . . 0.0 108.678 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -77.8 -4.51 46.83 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.624 -0.672 . . . . 0.0 109.2 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.6 20.32 62.09 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 11.1 t0 -56.55 -39.8 74.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.265 -1.138 . . . . 0.0 109.597 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.585 ' SG ' HD12 ' A' ' 24' ' ' LEU . 33.1 m -66.22 -21.08 66.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.156 -0.965 . . . . 0.0 108.84 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -94.89 -0.73 53.74 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.396 -0.815 . . . . 0.0 110.098 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -98.96 113.55 25.76 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.038 -1.039 . . . . 0.0 109.284 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.515 ' HA ' HD12 ' A' ' 35' ' ' LEU . 79.0 m-20 -56.16 -34.49 66.21 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.267 -0.896 . . . . 0.0 108.905 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.32 -23.02 66.29 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.557 -0.714 . . . . 0.0 109.997 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -112.52 0.06 15.38 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.114 -0.991 . . . . 0.0 109.882 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.537 HD21 ' O ' ' A' ' 29' ' ' CYS . 14.7 mt -57.66 -44.0 85.39 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.99 -1.068 . . . . 0.0 109.127 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.21 -38.89 91.87 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.212 -0.93 . . . . 0.0 108.731 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.22 -41.41 93.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.344 -0.847 . . . . 0.0 108.956 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.563 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.63 -46.75 62.73 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.512 -0.743 . . . . 0.0 110.168 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.56 -27.32 54.25 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 108.434 -1.866 . . . . 0.0 108.434 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 27.1 t80 -95.31 -53.35 3.8 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.775 -0.838 . . . . 0.0 110.231 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.536 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 73.1 m-85 -79.9 -45.44 18.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.394 -0.816 . . . . 0.0 111.478 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.4 m -137.49 69.21 53.74 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 120.715 -1.241 . . . . 0.0 111.051 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.07 -32.14 53.72 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.289 1.993 . . . . 0.0 111.273 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 12' ' ' CYS . 90.9 t -79.95 -45.92 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.471 -0.768 . . . . 0.0 109.989 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.484 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 41.2 m -56.56 -38.47 71.98 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.12 -0.988 . . . . 0.0 110.547 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.563 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 85.6 m -86.32 -8.41 57.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.118 -0.989 . . . . 0.0 110.598 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.96 35.03 16.6 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.689 -1.244 . . . . 0.0 111.375 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -103.62 -11.09 17.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.951 -1.323 . . . . 0.0 107.8 178.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -131.2 165.84 22.45 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -101.14 124.86 40.0 Favored Pre-proline 0 C--N 1.299 -1.589 0 O-C-N 121.184 -0.947 . . . . 0.0 109.013 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo . . . . . 0 C--N 1.309 -1.534 0 C-N-CA 122.17 1.913 . . . . 0.0 111.979 -179.905 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.8 m120 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -65.08 141.63 58.66 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.221 -0.925 . . . . 0.0 109.202 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 3' ' ' ILE . 82.0 mt -74.65 -2.93 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.198 -0.939 . . . . 0.0 109.425 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -76.84 -0.03 22.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.339 -0.851 . . . . 0.0 109.318 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 t -75.54 4.91 6.66 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.379 -0.826 . . . . 0.0 109.066 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.29 -1.74 19.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.537 -0.727 . . . . 0.0 110.169 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.86 138.39 55.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.975 -1.078 . . . . 0.0 109.467 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.572 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 66.8 t0 -112.08 8.18 19.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.298 -0.876 . . . . 0.0 109.396 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.24 21.17 0.18 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.932 . . . . 0.0 109.607 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' ASP . 83.2 tt0 -71.12 -4.14 23.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.286 -0.884 . . . . 0.0 109.141 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -106.27 122.91 47.18 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.119 -0.988 . . . . 0.0 109.722 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.9 m -106.36 147.2 29.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.361 -0.837 . . . . 0.0 109.006 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.08 149.87 47.67 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.231 -0.918 . . . . 0.0 110.227 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.507 ' OD2' ' OG1' ' A' ' 45' ' ' THR . 86.4 m-20 -70.64 140.9 51.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.249 -0.907 . . . . 0.0 108.953 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.601 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -60.79 140.24 57.67 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.207 -0.933 . . . . 0.0 109.633 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -83.13 -25.96 31.44 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.391 -0.818 . . . . 0.0 110.034 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -89.05 -3.75 58.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.178 -0.951 . . . . 0.0 110.07 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.431 ' HE1' ' HG ' ' A' ' 23' ' ' SER . 39.8 t80 -110.74 133.96 52.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.366 -0.834 . . . . 0.0 109.265 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -81.48 85.92 6.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.001 -1.062 . . . . 0.0 109.255 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.9 m -68.05 -35.63 78.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.294 -0.879 . . . . 0.0 109.625 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.6 -46.56 89.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.537 -0.727 . . . . 0.0 109.082 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.503 HH11 ' NH2' ' A' ' 25' ' ' ARG . 7.9 ttt85 -69.04 -45.34 70.66 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.245 -0.909 . . . . 0.0 109.494 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.431 ' HG ' ' HE1' ' A' ' 18' ' ' PHE . 65.0 m -64.62 -35.7 81.87 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.152 -0.967 . . . . 0.0 109.495 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.578 HD12 ' SG ' ' A' ' 29' ' ' CYS . 38.4 tp -65.21 -49.59 69.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.107 -0.996 . . . . 0.0 110.387 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.503 ' NH2' HH11 ' A' ' 22' ' ' ARG . 40.0 ptt85 -66.41 -23.81 66.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.005 -1.06 . . . . 0.0 109.052 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -78.27 -1.76 34.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.456 -0.778 . . . . 0.0 109.704 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.49 20.27 64.51 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 11.9 t0 -57.83 -40.19 79.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.33 -1.1 . . . . 0.0 109.628 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.578 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.6 m -66.19 -21.53 66.32 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.155 -0.966 . . . . 0.0 108.617 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -96.27 0.89 51.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.495 -0.753 . . . . 0.0 109.984 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.443 HD21 ' N ' ' A' ' 32' ' ' ASP . 0.4 OUTLIER -98.44 115.56 28.79 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.219 -0.926 . . . . 0.0 108.864 179.78 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.631 ' HA ' HD12 ' A' ' 35' ' ' LEU . 84.1 m-20 -59.48 -33.15 70.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.213 -0.93 . . . . 0.0 108.925 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 48.2 t0 -67.2 -25.9 66.35 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.465 -0.772 . . . . 0.0 109.641 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 9.9 mttm -109.45 -0.45 18.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.133 -0.979 . . . . 0.0 109.585 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 32' ' ' ASP . 11.0 mt -55.97 -44.67 78.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.084 -1.01 . . . . 0.0 109.268 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.14 -37.85 86.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.35 -0.844 . . . . 0.0 109.116 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.34 -39.74 91.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.276 -0.89 . . . . 0.0 109.353 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.546 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.16 -47.4 61.78 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.38 -0.825 . . . . 0.0 110.203 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.29 -28.06 54.09 Favored Glycine 0 N--CA 1.487 2.083 0 N-CA-C 108.181 -1.968 . . . . 0.0 108.181 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 30.1 t80 -95.29 -53.97 3.58 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.602 -0.94 . . . . 0.0 110.697 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.528 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 70.4 m-85 -78.73 -46.55 18.71 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.251 -0.906 . . . . 0.0 110.749 -178.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.483 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.8 m -135.09 71.62 68.4 Favored Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 120.875 -1.141 . . . . 0.0 111.225 -178.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.31 -34.15 28.07 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.395 2.064 . . . . 0.0 111.637 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.1 t -79.95 -43.45 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.452 -0.78 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.507 ' OG1' ' OD2' ' A' ' 14' ' ' ASP . 33.8 m -59.3 -39.24 82.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.092 -1.005 . . . . 0.0 110.385 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.557 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 69.5 m -85.6 -10.65 55.55 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.992 -1.068 . . . . 0.0 110.127 -179.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.71 37.96 11.18 Favored Glycine 0 N--CA 1.494 2.504 0 O-C-N 120.92 -1.113 . . . . 0.0 112.132 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.557 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 35.7 m-85 -104.3 -14.96 15.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.684 -1.48 . . . . 0.0 107.445 177.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -146.02 176.47 9.68 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.38 157.8 33.01 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.349 -0.844 . . . . 0.0 109.239 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo . . . . . 0 C--N 1.306 -1.684 0 C-N-CA 122.497 2.132 . . . . 0.0 112.014 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.336 0.588 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -66.53 141.07 58.0 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.963 . . . . 0.0 109.748 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.543 ' O ' HG22 ' A' ' 3' ' ' ILE . 87.8 mt -78.67 -4.57 6.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.352 -0.842 . . . . 0.0 109.674 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -76.23 2.12 14.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.122 -0.986 . . . . 0.0 109.447 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 t -85.57 -2.86 58.6 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.533 -0.729 . . . . 0.0 109.078 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.574 ' O ' ' O ' ' A' ' 7' ' ' ALA . . . -79.69 -10.59 59.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.366 -0.834 . . . . 0.0 109.82 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.574 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . 54.39 124.62 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.244 -0.91 . . . . 0.0 110.264 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -104.29 2.75 31.85 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.155 -0.966 . . . . 0.0 109.175 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.89 20.41 0.35 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.385 -0.822 . . . . 0.0 109.668 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -66.83 -25.42 66.43 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.608 -0.683 . . . . 0.0 109.583 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -102.57 121.48 42.46 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.245 -0.909 . . . . 0.0 109.771 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.1 m -103.28 142.14 34.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.554 -0.716 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.55 148.96 46.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.147 -0.971 . . . . 0.0 109.854 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.49 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 82.2 m-20 -71.61 137.52 48.01 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.192 -0.942 . . . . 0.0 108.953 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.623 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -61.31 138.75 58.24 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.824 -179.803 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -84.16 -24.14 30.32 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.528 -0.733 . . . . 0.0 109.8 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -86.86 -6.6 58.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.16 -0.963 . . . . 0.0 110.091 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -111.24 134.18 53.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.252 -0.905 . . . . 0.0 109.58 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -79.79 86.67 5.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.956 -1.09 . . . . 0.0 108.609 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.78 -33.72 68.83 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.451 -0.781 . . . . 0.0 109.84 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -62.66 -49.86 73.48 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.349 -0.844 . . . . 0.0 108.85 -179.825 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 19.4 ttt-85 -66.94 -44.42 80.67 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.201 -0.937 . . . . 0.0 109.567 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.8 m -63.18 -36.21 82.88 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.237 -0.914 . . . . 0.0 109.565 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.814 HD12 HG22 ' A' ' 45' ' ' THR . 5.1 tt -63.6 -50.17 70.44 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.911 -1.118 . . . . 0.0 110.193 -179.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 44.5 ptt85 -66.67 -23.81 66.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.885 -1.134 . . . . 0.0 108.796 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -75.16 -2.9 29.89 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.54 -0.725 . . . . 0.0 109.254 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.03 13.52 74.36 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -56.5 -40.72 75.45 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.994 -1.298 . . . . 0.0 109.16 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.427 ' O ' HD21 ' A' ' 35' ' ' LEU . 54.2 m -67.99 -22.01 65.03 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -96.72 2.64 52.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.578 -0.701 . . . . 0.0 110.195 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.49 HD22 ' HE3' ' A' ' 34' ' ' LYS . 55.5 t-20 -100.34 112.12 24.44 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.044 -1.035 . . . . 0.0 108.951 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.581 ' HA ' HD12 ' A' ' 35' ' ' LEU . 55.6 t0 -55.89 -34.13 65.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.312 -0.867 . . . . 0.0 109.491 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -65.89 -25.39 67.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.458 -0.776 . . . . 0.0 109.766 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HE3' HD22 ' A' ' 31' ' ' ASN . 26.3 mttt -109.9 -0.74 18.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.277 -0.889 . . . . 0.0 109.929 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.7 mt -56.69 -45.99 81.46 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.109 -0.994 . . . . 0.0 109.366 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.0 tt -65.16 -39.49 93.02 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.046 -1.034 . . . . 0.0 108.495 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.99 -39.84 91.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.342 -0.849 . . . . 0.0 109.291 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.55 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.3 mmt -70.43 -45.43 65.89 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.977 -1.077 . . . . 0.0 109.422 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.52 -25.59 42.69 Favored Glycine 0 N--CA 1.484 1.875 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 21.6 t80 -94.65 -53.6 3.82 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.579 -0.954 . . . . 0.0 110.318 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.536 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 63.9 m-85 -80.33 -47.21 14.84 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.0 -1.062 . . . . 0.0 111.25 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 m -134.18 71.05 73.34 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 120.837 -1.165 . . . . 0.0 111.204 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.32 -35.15 24.98 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.448 2.099 . . . . 0.0 111.946 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -77.83 -43.98 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.191 -0.943 . . . . 0.0 109.835 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.814 HG22 HD12 ' A' ' 24' ' ' LEU . 65.5 m -59.92 -37.79 80.47 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.392 -0.818 . . . . 0.0 110.897 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 97.3 m -86.57 0.05 55.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.893 -1.129 . . . . 0.0 110.621 -178.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.97 35.72 38.2 Favored Glycine 0 N--CA 1.495 2.59 0 C-N-CA 119.852 -1.166 . . . . 0.0 111.748 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 12.2 m-30 -108.12 -12.83 15.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.953 -1.322 . . . . 0.0 108.322 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.4 t -151.99 172.54 16.1 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.397 -0.814 . . . . 0.0 109.497 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.622 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.1 mp0 -101.35 155.06 36.8 Favored Pre-proline 0 C--N 1.3 -1.561 0 O-C-N 121.609 -0.682 . . . . 0.0 109.541 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo . . . . . 0 C--N 1.305 -1.754 0 C-N-CA 122.516 2.144 . . . . 0.0 111.591 179.634 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.554 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 58.5 p30 -74.76 144.12 43.76 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.197 -0.94 . . . . 0.0 109.554 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.503 ' O ' HG22 ' A' ' 3' ' ' ILE . 77.2 mt -78.63 -1.71 4.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.345 -0.847 . . . . 0.0 109.307 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -79.08 1.14 25.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.122 -0.986 . . . . 0.0 108.906 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 t -77.68 0.59 22.82 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.331 -0.856 . . . . 0.0 108.903 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.81 28.05 5.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.438 -0.789 . . . . 0.0 109.524 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.7 141.57 37.56 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.151 -0.968 . . . . 0.0 109.549 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' A' ' 10' ' ' GLU . 89.4 m-20 -109.83 14.44 23.19 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 68.5 mmm -65.97 14.66 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.253 -0.904 . . . . 0.0 110.389 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' A' ' 8' ' ' ASP . 84.5 tt0 -74.6 -24.45 58.88 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.218 -0.993 . . . . 0.0 109.484 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -102.26 122.5 44.33 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.197 -0.939 . . . . 0.0 109.165 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.2 m -89.32 134.35 34.1 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.404 -0.81 . . . . 0.0 109.117 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.55 149.87 48.33 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.283 -0.886 . . . . 0.0 109.946 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.482 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.5 m-20 -70.74 140.02 51.25 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.22 -0.925 . . . . 0.0 109.293 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.61 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -61.33 139.14 58.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.266 -0.896 . . . . 0.0 109.446 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -84.52 -25.62 28.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -0.827 . . . . 0.0 110.056 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -91.37 1.01 57.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 110.052 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -113.79 131.26 56.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.192 -0.943 . . . . 0.0 109.568 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -79.88 85.74 5.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.164 -0.96 . . . . 0.0 108.845 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.7 m -70.12 -34.62 73.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.429 -0.795 . . . . 0.0 109.757 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.432 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.18 -42.9 87.08 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 15.0 ttt-85 -68.17 -47.22 68.58 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.499 -0.751 . . . . 0.0 109.424 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 78.5 p -67.39 -34.79 78.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.449 -0.782 . . . . 0.0 108.973 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.649 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.1 tp -66.39 -48.7 69.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.29 -0.881 . . . . 0.0 110.384 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 35.0 ptt180 -69.53 -23.17 63.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.258 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -79.83 -1.37 38.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.481 -0.762 . . . . 0.0 109.39 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.52 23.43 58.37 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.855 -1.698 . . . . 0.0 108.855 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 23' ' ' SER . 16.4 t0 -60.96 -38.65 86.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.415 -1.05 . . . . 0.0 109.578 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.649 ' SG ' HD12 ' A' ' 24' ' ' LEU . 22.8 m -67.32 -18.72 65.29 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.213 -0.929 . . . . 0.0 108.599 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -96.79 1.6 50.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.573 -0.704 . . . . 0.0 110.033 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.414 HD22 ' HE3' ' A' ' 34' ' ' LYS . 55.8 t-20 -101.94 115.06 29.73 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.084 -1.01 . . . . 0.0 109.84 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.595 ' HA ' HD12 ' A' ' 35' ' ' LEU . 91.1 m-20 -56.31 -34.03 66.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.462 -0.774 . . . . 0.0 109.092 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -67.48 -24.05 65.55 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.644 -0.66 . . . . 0.0 109.781 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HE3' HD22 ' A' ' 31' ' ' ASN . 36.8 mttt -112.3 -0.4 15.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.182 -0.949 . . . . 0.0 109.908 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.7 mt -56.0 -44.29 78.51 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.086 -1.009 . . . . 0.0 109.26 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.7 -38.76 90.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.405 -0.809 . . . . 0.0 109.155 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -61.25 -39.73 91.43 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.475 -0.766 . . . . 0.0 109.189 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.55 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -71.41 -47.01 58.72 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.525 -0.734 . . . . 0.0 109.741 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.29 -28.55 50.44 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 108.341 -1.904 . . . . 0.0 108.341 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -94.93 -56.12 2.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.796 -0.826 . . . . 0.0 110.834 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.556 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 68.2 m-85 -76.23 -43.95 39.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 110.784 -178.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.457 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.3 m -140.45 72.76 30.98 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 120.685 -1.259 . . . . 0.0 110.974 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -66.9 -33.54 32.86 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 122.381 2.054 . . . . 0.0 111.406 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' HB ' ' OD1' ' A' ' 14' ' ' ASP . 94.3 t -80.25 -43.12 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.472 -0.767 . . . . 0.0 109.5 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.482 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 54.1 m -58.01 -38.82 76.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.263 -0.898 . . . . 0.0 110.605 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.4 m -86.83 -8.77 57.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.053 -1.029 . . . . 0.0 110.658 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.3 34.79 13.36 Favored Glycine 0 N--CA 1.493 2.453 0 C-N-CA 119.77 -1.205 . . . . 0.0 112.313 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 34.0 m-85 -102.97 -14.85 16.32 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.558 -1.554 . . . . 0.0 107.562 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -149.88 176.03 11.11 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -105.12 160.17 26.9 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 109.67 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 N--CA 1.493 1.482 0 C-N-CA 122.72 2.28 . . . . 0.0 112.089 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.3 0.571 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -65.08 147.84 52.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.226 -0.921 . . . . 0.0 109.409 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.515 ' O ' HG22 ' A' ' 3' ' ' ILE . 70.9 mt -73.64 -2.98 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.125 -0.984 . . . . 0.0 109.474 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -78.26 7.34 6.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.199 -0.938 . . . . 0.0 109.263 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -74.82 2.58 9.84 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.281 -0.887 . . . . 0.0 109.515 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.63 1.58 11.86 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.344 -0.848 . . . . 0.0 109.604 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.94 142.44 53.73 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.124 -0.985 . . . . 0.0 109.702 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.596 ' C ' ' H ' ' A' ' 10' ' ' GLU . 50.2 p30 -106.9 15.52 25.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.881 . . . . 0.0 109.054 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.4 mmm -65.19 14.19 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.414 -0.804 . . . . 0.0 109.828 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.596 ' H ' ' C ' ' A' ' 8' ' ' ASP . 51.4 tp10 -77.92 -17.55 57.13 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.495 -0.753 . . . . 0.0 109.378 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -100.06 124.55 45.55 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.165 -0.96 . . . . 0.0 109.032 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 m -110.32 155.23 22.38 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.56 151.49 49.44 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.163 -0.961 . . . . 0.0 109.872 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.489 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 87.0 m-20 -69.18 138.72 54.34 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 109.184 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.591 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -62.19 138.49 58.42 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.233 -0.917 . . . . 0.0 109.472 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 pttm -82.41 -29.22 30.91 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.211 -0.93 . . . . 0.0 109.623 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -86.47 -1.71 57.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.337 -0.852 . . . . 0.0 109.613 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -113.54 129.86 56.47 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.269 -0.894 . . . . 0.0 109.932 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -80.41 85.02 5.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 0.0 109.083 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.8 m -67.6 -35.8 79.67 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.646 0.736 . . . . 0.0 109.266 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.727 ' NH1' ' NH1' ' A' ' 25' ' ' ARG . 1.2 tmt_? -57.04 -42.19 80.04 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HG3' HD21 ' A' ' 26' ' ' ASN . 11.5 ttt180 -69.4 -47.18 64.99 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.493 -0.754 . . . . 0.0 109.646 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 79.4 p -66.45 -34.57 78.24 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.176 -0.952 . . . . 0.0 109.444 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD12 ' SG ' ' A' ' 29' ' ' CYS . 38.3 tp -67.63 -48.09 67.72 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.172 -0.955 . . . . 0.0 110.49 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.727 ' NH1' ' NH1' ' A' ' 21' ' ' ARG . 41.2 ptt180 -68.47 -22.79 64.55 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 108.992 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.489 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.2 m-20 -80.8 -0.67 39.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.437 -0.789 . . . . 0.0 109.286 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.02 23.4 63.78 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 23' ' ' SER . 13.8 t0 -60.06 -40.14 88.44 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.367 -1.078 . . . . 0.0 109.58 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.539 ' SG ' HD12 ' A' ' 24' ' ' LEU . 28.8 m -64.46 -19.96 65.88 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -95.98 -3.51 44.91 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.385 -0.822 . . . . 0.0 110.063 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -94.66 116.12 28.37 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.983 -1.073 . . . . 0.0 109.354 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.627 ' HA ' HD12 ' A' ' 35' ' ' LEU . 90.1 m-20 -57.57 -33.69 68.42 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.327 -0.858 . . . . 0.0 109.119 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.94 -27.19 67.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.478 -0.764 . . . . 0.0 109.957 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -107.63 -0.82 21.69 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.227 -0.921 . . . . 0.0 109.48 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 32' ' ' ASP . 10.3 mt -53.84 -47.98 70.41 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.482 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -65.17 -38.55 90.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.219 -0.926 . . . . 0.0 109.176 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -58.87 -40.5 84.53 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.365 -0.834 . . . . 0.0 109.483 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.588 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.1 mmt -70.28 -47.05 62.99 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.37 -0.831 . . . . 0.0 110.057 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.51 -28.25 50.59 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 40.7 t80 -94.75 -55.49 3.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.642 -0.917 . . . . 0.0 110.576 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.591 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 61.4 m-85 -76.03 -44.28 40.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.326 -0.859 . . . . 0.0 111.337 -178.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.6 m -139.89 69.73 36.23 Favored Pre-proline 0 C--N 1.3 -1.559 0 O-C-N 120.682 -1.261 . . . . 0.0 111.084 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.24 -33.09 61.22 Favored 'Trans proline' 0 C--N 1.301 -1.937 0 C-N-CA 122.465 2.11 . . . . 0.0 111.958 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.8 t -81.01 -42.61 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.142 -0.974 . . . . 0.0 109.973 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.489 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 62.4 m -59.51 -37.71 79.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.245 -0.909 . . . . 0.0 110.791 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.9 m -86.06 -9.76 56.17 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.878 -1.139 . . . . 0.0 110.74 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.09 35.0 10.09 Favored Glycine 0 N--CA 1.492 2.401 0 C-N-CA 119.638 -1.268 . . . . 0.0 111.891 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.494 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 46.0 m-85 -102.89 -16.19 15.96 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.668 -1.489 . . . . 0.0 107.527 178.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.11 165.65 18.48 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.05 123.1 44.72 Favored Pre-proline 0 C--N 1.301 -1.504 0 O-C-N 121.333 -0.855 . . . . 0.0 108.756 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 C--N 1.311 -1.404 0 C-N-CA 122.172 1.915 . . . . 0.0 112.208 -179.534 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 61.7 t30 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -70.25 140.48 52.4 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.245 -0.91 . . . . 0.0 109.491 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.556 ' O ' HG22 ' A' ' 3' ' ' ILE . 83.4 mt -75.41 1.28 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.303 -0.873 . . . . 0.0 109.469 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -72.96 -1.14 15.86 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.322 -0.861 . . . . 0.0 108.863 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 t -90.56 -2.78 57.89 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.299 -0.876 . . . . 0.0 109.712 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.51 ' O ' ' O ' ' A' ' 7' ' ' ALA . . . -101.14 24.46 9.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.373 179.594 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.51 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . 48.83 -179.89 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.181 -0.949 . . . . 0.0 108.891 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -103.01 10.99 37.87 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.313 -0.867 . . . . 0.0 109.061 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.95 11.98 29.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.39 -0.819 . . . . 0.0 109.634 -179.774 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.46 -25.43 64.09 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.59 -0.694 . . . . 0.0 109.475 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -103.61 121.85 43.77 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.333 -0.854 . . . . 0.0 109.697 -179.198 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.1 m -110.74 139.69 45.81 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.9 148.38 47.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.083 -1.01 . . . . 0.0 110.132 -179.668 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.572 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.6 p30 -72.54 137.44 46.25 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.277 -0.889 . . . . 0.0 108.629 178.874 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -61.51 140.63 58.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.21 -0.931 . . . . 0.0 109.868 -179.05 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -87.76 -29.07 21.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.324 -0.86 . . . . 0.0 109.492 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -82.87 -4.93 58.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -110.94 133.75 53.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.832 . . . . 0.0 108.938 179.59 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -79.5 84.8 5.33 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.029 -1.045 . . . . 0.0 108.502 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -70.82 -36.15 72.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.373 -0.829 . . . . 0.0 109.292 -179.473 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.24 -46.21 90.55 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.435 -0.791 . . . . 0.0 108.97 179.758 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.753 ' HE ' HH21 ' A' ' 25' ' ' ARG . 11.5 ttm180 -69.69 -45.93 67.19 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.056 -1.028 . . . . 0.0 109.497 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -61.9 -36.09 80.28 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.33 -0.857 . . . . 0.0 109.277 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.619 HD12 ' SG ' ' A' ' 29' ' ' CYS . 35.9 tp -64.4 -50.35 67.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 0.0 110.408 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.753 HH21 ' HE ' ' A' ' 22' ' ' ARG . 27.1 ptt180 -67.32 -21.14 65.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.142 -0.974 . . . . 0.0 109.167 -179.597 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -79.01 -2.7 41.49 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.508 -0.745 . . . . 0.0 109.295 179.498 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.7 21.09 62.36 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 14.8 t0 -59.77 -40.4 88.09 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.225 -1.162 . . . . 0.0 109.796 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.619 ' SG ' HD12 ' A' ' 24' ' ' LEU . 28.8 m -66.39 -21.49 66.23 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.08 -1.013 . . . . 0.0 108.563 179.397 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.7 -0.51 54.27 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.352 -0.843 . . . . 0.0 109.846 -179.768 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -97.43 113.56 25.26 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.978 -1.076 . . . . 0.0 108.726 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.6 ' HA ' HD12 ' A' ' 35' ' ' LEU . 76.1 m-20 -57.4 -34.15 68.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.269 -0.894 . . . . 0.0 109.173 -179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -66.72 -25.36 66.49 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.386 -0.821 . . . . 0.0 109.763 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 62.5 mttt -109.1 0.28 19.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.052 -1.03 . . . . 0.0 109.592 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.1 mt -57.01 -45.14 83.25 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.136 -0.978 . . . . 0.0 109.346 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.36 -39.38 92.26 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 0.0 108.811 178.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -59.67 -39.59 84.97 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.322 -0.861 . . . . 0.0 109.18 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.589 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -70.71 -45.27 65.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.475 -0.766 . . . . 0.0 110.106 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.77 -28.66 60.59 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 179.432 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -93.81 -54.25 3.69 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.889 -0.771 . . . . 0.0 110.471 -179.649 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.59 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 63.9 m-85 -77.53 -48.86 15.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.128 -0.982 . . . . 0.0 110.957 -179.1 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.4 m -136.32 73.52 56.74 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 120.69 -1.256 . . . . 0.0 111.107 -178.827 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.1 -35.85 23.85 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.575 2.183 . . . . 0.0 111.647 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.18 -42.85 37.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.47 0.652 . . . . 0.0 109.495 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.1 m -59.39 -39.27 82.85 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.324 -0.86 . . . . 0.0 110.601 -179.269 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 75.6 m -86.9 -1.27 57.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.217 -0.927 . . . . 0.0 110.482 -178.553 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.15 36.13 36.17 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.906 178.671 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.1 m-30 -105.14 -12.61 16.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.976 -1.309 . . . . 0.0 108.027 178.605 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 t -154.41 175.02 14.08 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.321 179.544 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -110.26 151.39 42.57 Favored Pre-proline 0 N--CA 1.488 1.438 0 O-C-N 121.374 -0.828 . . . . 0.0 109.117 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo . . . . . 0 C--N 1.308 -1.564 0 C-N-CA 122.292 1.995 . . . . 0.0 111.999 179.994 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.51 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 53.6 p30 -71.87 154.06 41.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 109.758 -179.792 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.432 ' O ' HG22 ' A' ' 3' ' ' ILE . 33.0 mm -80.67 -4.91 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.412 -0.805 . . . . 0.0 109.384 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -76.88 0.96 18.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.197 -0.939 . . . . 0.0 109.606 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 t -76.67 1.18 17.76 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.335 -0.853 . . . . 0.0 109.441 -179.661 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.75 -5.88 56.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.371 -0.831 . . . . 0.0 109.488 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.23 142.34 52.38 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.315 -0.866 . . . . 0.0 109.719 -179.69 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -106.95 10.5 30.45 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.07 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 62.3 mmm -86.76 15.01 6.17 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.569 -0.707 . . . . 0.0 110.081 -179.182 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -70.47 -20.68 62.86 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.303 -0.873 . . . . 0.0 109.68 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -98.72 121.69 41.0 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.293 -0.879 . . . . 0.0 108.933 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.4 m -112.17 142.73 44.28 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.474 -0.766 . . . . 0.0 109.199 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.61 150.26 48.45 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.304 -0.872 . . . . 0.0 109.393 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.56 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.8 p30 -74.11 151.95 40.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.267 -0.896 . . . . 0.0 108.809 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.3 132.2 46.06 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.018 -1.051 . . . . 0.0 110.018 -179.484 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -79.85 -23.81 41.72 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.261 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -90.41 -9.9 45.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.59 -0.694 . . . . 0.0 110.058 -179.398 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -108.6 129.97 55.31 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 179.269 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -76.48 84.97 3.2 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.137 -0.977 . . . . 0.0 109.452 -179.68 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.4 m -67.86 -34.46 76.74 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.35 -45.25 88.53 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.391 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 15.1 ttt-85 -66.31 -46.06 78.22 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.407 -0.808 . . . . 0.0 109.697 179.432 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.3 p -68.22 -34.1 75.63 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.186 -0.946 . . . . 0.0 109.532 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.644 HD12 ' SG ' ' A' ' 29' ' ' CYS . 27.7 tp -66.09 -49.7 66.66 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.2 -0.937 . . . . 0.0 110.536 -179.559 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 23.0 ptt180 -67.09 -20.74 65.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.111 -0.993 . . . . 0.0 109.287 -179.444 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -82.27 -2.3 52.17 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.537 -0.727 . . . . 0.0 109.337 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.48 21.49 62.08 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.422 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.0 t0 -57.73 -39.63 77.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.294 -1.121 . . . . 0.0 109.384 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 24' ' ' LEU . 33.6 m -64.47 -21.58 66.71 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.23 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -96.86 -1.13 46.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.657 -0.652 . . . . 0.0 110.098 -179.441 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.439 HD22 ' HE2' ' A' ' 34' ' ' LYS . 57.0 t-20 -95.84 114.1 25.79 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.094 -1.004 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.606 ' HA ' HD12 ' A' ' 35' ' ' LEU . 93.2 m-20 -56.64 -34.3 67.17 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.192 -0.942 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.476 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 66.5 t0 -67.22 -22.4 65.71 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.44 -0.788 . . . . 0.0 110.01 -179.555 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HE2' HD22 ' A' ' 31' ' ' ASN . 13.2 mttm -112.96 -1.05 14.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.151 -0.968 . . . . 0.0 109.816 -179.286 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.2 mt -54.09 -45.83 71.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.079 -1.013 . . . . 0.0 109.433 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.05 -37.22 83.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.255 -0.903 . . . . 0.0 109.324 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.19 -39.45 92.78 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.192 -0.943 . . . . 0.0 109.28 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.537 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.99 -48.81 51.17 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.44 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.61 -28.03 44.24 Favored Glycine 0 N--CA 1.482 1.76 0 N-CA-C 108.391 -1.884 . . . . 0.0 108.391 179.475 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -94.51 -56.04 2.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.62 -0.929 . . . . 0.0 110.399 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -77.67 -45.21 25.61 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.099 -1.001 . . . . 0.0 110.917 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.466 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.1 m -134.56 71.14 71.61 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 120.854 -1.154 . . . . 0.0 111.442 -178.681 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.08 -33.29 32.22 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.378 2.052 . . . . 0.0 111.435 178.847 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.33 -45.48 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.374 -0.829 . . . . 0.0 110.101 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.0 m -57.84 -38.71 76.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.232 -0.918 . . . . 0.0 110.457 -179.005 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 65.1 m -86.04 -11.53 52.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.942 -1.098 . . . . 0.0 110.469 -179.085 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.71 35.97 10.98 Favored Glycine 0 N--CA 1.494 2.524 0 C-N-CA 119.807 -1.187 . . . . 0.0 112.098 178.198 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 46' ' ' CYS . 47.7 m-85 -102.31 -14.93 16.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.626 -1.514 . . . . 0.0 107.696 177.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 t -144.25 175.46 10.07 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.75 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.625 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -100.84 156.96 34.55 Favored Pre-proline 0 C--N 1.299 -1.589 0 O-C-N 121.366 -0.834 . . . . 0.0 109.181 -179.92 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo . . . . . 0 C--N 1.308 -1.593 0 C-N-CA 122.539 2.16 . . . . 0.0 111.789 179.745 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.237 0.541 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -69.76 147.85 49.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 0.0 109.313 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.639 ' O ' HG22 ' A' ' 3' ' ' ILE . 86.3 mt -76.64 2.91 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.154 -0.966 . . . . 0.0 109.611 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -75.92 -0.94 23.16 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.335 -0.853 . . . . 0.0 109.182 -179.696 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -86.18 2.54 46.52 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.266 -0.896 . . . . 0.0 109.193 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.2 -10.21 59.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.285 -0.884 . . . . 0.0 109.579 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.64 138.77 58.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.336 -0.853 . . . . 0.0 109.39 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 10' ' ' GLU . 80.8 m-20 -110.04 9.72 24.17 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.185 -0.947 . . . . 0.0 109.327 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 49.95 17.84 0.32 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.331 -0.856 . . . . 0.0 109.577 -179.719 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 85.1 tt0 -73.62 -6.7 48.33 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.174 -0.953 . . . . 0.0 108.747 179.36 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -103.15 126.64 50.41 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.734 -179.352 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 65.8 m -107.2 153.43 22.69 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.61 150.98 47.85 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.124 -0.985 . . . . 0.0 109.964 -179.813 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.493 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 78.5 m-20 -72.51 138.44 46.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.129 -0.982 . . . . 0.0 109.06 179.514 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.553 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -57.2 139.54 52.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.938 . . . . 0.0 109.318 -179.85 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -85.71 -25.61 26.39 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.446 -0.784 . . . . 0.0 109.619 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -88.95 -2.74 58.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.298 -0.876 . . . . 0.0 109.614 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -113.09 129.03 56.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -0.886 . . . . 0.0 109.403 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 25.7 p30 -77.96 84.95 4.22 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.229 -0.919 . . . . 0.0 109.056 179.361 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.498 ' HB3' HG21 ' A' ' 45' ' ' THR . 22.7 m -68.0 -33.57 74.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.294 -0.879 . . . . 0.0 109.47 -179.647 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.92 -43.68 91.17 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.394 -0.816 . . . . 0.0 108.863 -179.84 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.69 ' CZ ' HH21 ' A' ' 25' ' ' ARG . 14.6 ttm-85 -68.78 -47.48 66.06 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.367 -0.833 . . . . 0.0 109.417 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.6 p -64.85 -36.03 83.04 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.381 -0.824 . . . . 0.0 109.211 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.596 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.5 tp -63.9 -50.48 68.55 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 110.238 -179.851 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.69 HH21 ' CZ ' ' A' ' 22' ' ' ARG . 47.1 ptt85 -67.63 -21.94 65.36 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.061 -1.024 . . . . 0.0 109.074 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.549 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.3 m-20 -79.86 -2.57 44.13 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.456 -0.778 . . . . 0.0 109.265 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.09 21.16 61.47 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.5 t0 -58.69 -38.92 79.28 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.166 -1.196 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.596 ' SG ' HD12 ' A' ' 24' ' ' LEU . 48.6 m -66.35 -18.24 65.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.147 -0.971 . . . . 0.0 108.774 179.311 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -98.92 -1.39 40.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.372 -0.83 . . . . 0.0 110.019 -179.612 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.51 HD22 ' HE3' ' A' ' 34' ' ' LYS . 53.2 t-20 -96.9 113.84 25.42 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.231 -0.918 . . . . 0.0 109.133 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.588 ' HA ' HD12 ' A' ' 35' ' ' LEU . 72.3 m-20 -56.41 -33.56 65.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.216 -0.928 . . . . 0.0 109.6 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -66.99 -24.59 66.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.24 -0.913 . . . . 0.0 110.125 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HE3' HD22 ' A' ' 31' ' ' ASN . 42.0 mttt -109.07 -5.57 15.97 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.138 -0.976 . . . . 0.0 109.779 -178.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.8 mt -52.37 -46.35 66.14 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.278 -0.889 . . . . 0.0 109.199 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -66.66 -40.25 88.54 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.289 -0.882 . . . . 0.0 109.256 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.75 -38.33 84.8 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.336 -0.852 . . . . 0.0 109.285 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.544 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.4 mmt -70.87 -46.32 62.85 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.297 -0.877 . . . . 0.0 109.834 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.87 -23.39 45.18 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 107.567 -2.213 . . . . 0.0 107.567 179.281 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 34.1 t80 -95.06 -57.22 2.49 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.935 -0.744 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.553 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 65.8 m-85 -78.67 -45.01 22.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.298 -0.876 . . . . 0.0 111.281 -178.778 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.3 m -136.82 74.33 51.68 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 120.72 -1.238 . . . . 0.0 110.845 -178.765 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.15 -35.07 20.5 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.394 2.063 . . . . 0.0 111.54 179.299 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.429 ' HB ' ' OD1' ' A' ' 14' ' ' ASP . 87.2 t -78.47 -43.98 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 109.122 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 20' ' ' CYS . 52.9 m -54.81 -40.95 70.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.335 -0.853 . . . . 0.0 110.309 -179.544 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.544 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.2 m -87.03 -1.86 58.2 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.121 -0.987 . . . . 0.0 110.564 -178.894 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.4 34.78 39.32 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.042 178.698 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.5 m-30 -103.73 -10.5 18.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.936 -1.332 . . . . 0.0 107.943 178.54 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.421 ' SG ' ' OE2' ' A' ' 50' ' ' GLU . 4.8 t -153.18 176.25 12.14 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.261 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.467 ' O ' ' OXT' ' A' ' 51' ' ' PRO . 1.4 pm0 -107.42 151.89 41.1 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.331 -0.856 . . . . 0.0 109.425 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.467 ' OXT' ' O ' ' A' ' 50' ' ' GLU . 36.1 Cg_exo . . . . . 0 C--N 1.306 -1.659 0 C-N-CA 122.298 1.998 . . . . 0.0 112.089 179.586 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -69.06 141.36 54.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.314 -0.866 . . . . 0.0 109.59 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.553 ' O ' HG22 ' A' ' 3' ' ' ILE . 76.1 mt -75.96 -1.8 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 0.0 109.665 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -80.59 4.51 18.29 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.064 -1.023 . . . . 0.0 108.834 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.8 t -81.07 -0.06 38.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.389 -0.819 . . . . 0.0 109.598 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.08 -26.37 67.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.18 -0.95 . . . . 0.0 109.478 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.42 147.55 53.23 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.349 -0.844 . . . . 0.0 109.489 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -89.06 8.62 28.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.185 -0.947 . . . . 0.0 108.565 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.49 17.51 1.08 Allowed 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.4 0.619 . . . . 0.0 109.671 -179.387 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -65.61 -16.95 64.21 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.461 -0.775 . . . . 0.0 109.075 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -100.06 118.77 37.13 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.299 -0.876 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.8 m -108.52 147.05 32.29 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.641 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.11 152.8 50.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.061 -1.024 . . . . 0.0 109.372 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.586 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.2 p30 -76.09 141.91 41.87 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.149 -0.97 . . . . 0.0 108.903 179.363 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -64.0 137.75 58.14 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.231 -0.918 . . . . 0.0 109.897 -179.23 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -84.15 -30.72 25.64 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.397 -0.815 . . . . 0.0 109.665 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -83.19 -5.26 59.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 0.0 109.918 -179.501 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -112.2 131.96 55.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.447 -0.783 . . . . 0.0 109.122 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -80.96 87.93 5.95 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.347 -0.846 . . . . 0.0 109.433 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.8 m -70.29 -37.93 74.93 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.207 -0.933 . . . . 0.0 109.621 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -55.22 -42.36 73.25 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.73 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.665 HH11 ' NH2' ' A' ' 25' ' ' ARG . 13.1 ttt85 -69.67 -47.71 62.34 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.546 -0.721 . . . . 0.0 109.562 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 82.9 p -65.89 -34.02 77.18 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.413 -0.804 . . . . 0.0 109.367 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.673 HD12 ' SG ' ' A' ' 29' ' ' CYS . 22.0 tp -66.99 -50.42 62.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.344 -0.847 . . . . 0.0 110.246 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.665 ' NH2' HH11 ' A' ' 22' ' ' ARG . 34.3 ptt85 -66.33 -24.64 66.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.131 -0.981 . . . . 0.0 108.994 -179.731 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.477 HD22 ' NH1' ' A' ' 25' ' ' ARG . 10.8 m120 -78.59 -2.79 40.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.434 -0.791 . . . . 0.0 109.829 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.61 21.4 60.02 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 23' ' ' SER . 17.5 t0 -60.16 -39.91 88.05 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.341 -1.094 . . . . 0.0 109.618 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.673 ' SG ' HD12 ' A' ' 24' ' ' LEU . 38.6 m -65.22 -19.63 66.06 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.139 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -97.95 -2.89 39.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.462 -0.774 . . . . 0.0 110.226 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -95.07 115.55 27.57 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.169 -0.957 . . . . 0.0 108.853 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.565 ' HA ' HD12 ' A' ' 35' ' ' LEU . 83.7 m-20 -58.37 -31.71 67.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.836 . . . . 0.0 109.543 -179.657 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.3 -22.64 62.81 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.461 -0.774 . . . . 0.0 110.365 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 24.4 mttt -110.66 1.05 17.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.078 -1.014 . . . . 0.0 109.634 -179.571 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.1 mt -58.57 -42.7 88.57 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.262 -0.899 . . . . 0.0 109.085 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.2 -40.62 94.42 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.26 -0.9 . . . . 0.0 108.777 179.121 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.16 -41.32 96.56 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.513 -0.742 . . . . 0.0 109.077 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.585 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -67.78 -47.34 69.43 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.341 -0.849 . . . . 0.0 110.177 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.66 -27.1 60.96 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.604 -1.799 . . . . 0.0 108.604 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 34.1 t80 -94.74 -53.1 3.99 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.87 -0.782 . . . . 0.0 110.177 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.581 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 67.5 m-85 -79.34 -46.46 17.63 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.396 -0.815 . . . . 0.0 110.931 -179.104 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -137.96 72.1 47.95 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 120.669 -1.269 . . . . 0.0 111.335 -178.784 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.73 -34.2 41.53 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.346 2.031 . . . . 0.0 111.291 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.3 t -78.37 -43.11 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.434 -0.791 . . . . 0.0 109.93 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.7 m -59.19 -39.62 83.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.505 -0.747 . . . . 0.0 110.723 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.585 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 68.5 m -86.88 -4.43 59.18 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.071 -1.018 . . . . 0.0 110.485 -178.61 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.93 34.88 29.34 Favored Glycine 0 N--CA 1.49 2.265 0 C-N-CA 119.701 -1.238 . . . . 0.0 111.089 178.477 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -104.39 -9.73 18.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.811 -1.405 . . . . 0.0 107.937 178.487 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.8 t -153.62 176.74 11.73 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.481 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -104.11 155.97 36.4 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.413 -0.805 . . . . 0.0 109.72 -179.649 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo . . . . . 0 C--N 1.307 -1.635 0 C-N-CA 122.842 2.361 . . . . 0.0 111.925 179.444 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -68.64 137.08 53.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.284 -0.885 . . . . 0.0 109.444 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.554 ' O ' HG22 ' A' ' 3' ' ' ILE . 63.4 mt -73.63 1.72 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.398 -0.814 . . . . 0.0 109.155 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -75.83 1.83 13.93 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.008 -1.057 . . . . 0.0 109.418 -179.872 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 t -92.56 -3.3 55.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.215 -0.928 . . . . 0.0 109.368 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 7' ' ' ALA . . . -77.59 -8.9 58.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.143 -0.973 . . . . 0.0 109.284 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . 44.58 -166.09 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.094 -1.004 . . . . 0.0 109.296 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -114.58 11.72 17.09 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.335 -0.853 . . . . 0.0 108.73 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.0 mmm -89.64 14.1 12.49 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.434 -0.791 . . . . 0.0 109.643 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -69.53 -27.76 65.45 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.25 -0.906 . . . . 0.0 109.243 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -104.97 119.54 39.27 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.377 -0.827 . . . . 0.0 109.288 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.4 m -100.52 136.86 39.74 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.03 149.05 47.2 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.094 -1.004 . . . . 0.0 110.452 -179.353 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.501 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 86.2 m-20 -70.86 135.6 48.15 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.116 -0.99 . . . . 0.0 109.398 179.21 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.659 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -59.49 139.45 57.11 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.208 -0.932 . . . . 0.0 109.634 -179.761 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -88.13 -25.18 23.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.378 -0.826 . . . . 0.0 110.279 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -86.85 -4.93 59.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.98 -1.075 . . . . 0.0 109.405 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -114.74 130.27 56.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.461 -0.775 . . . . 0.0 109.442 179.734 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -77.39 85.82 3.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.265 -0.897 . . . . 0.0 109.639 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.1 m -67.23 -35.14 78.96 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 109.2 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.49 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -57.68 -41.14 81.01 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.555 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 12.8 ttm-85 -70.74 -47.56 59.04 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.348 -0.845 . . . . 0.0 109.609 179.384 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.7 p -66.15 -34.86 79.01 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.264 -0.897 . . . . 0.0 109.539 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.593 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.2 tp -64.94 -47.93 75.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.226 -0.921 . . . . 0.0 110.295 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 23.8 ptt180 -69.8 -22.9 63.28 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.22 -0.925 . . . . 0.0 109.22 -179.625 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -78.5 -2.17 37.36 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.535 -0.728 . . . . 0.0 109.078 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.54 21.33 62.24 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 10.8 t0 -59.32 -39.92 84.63 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.363 -1.081 . . . . 0.0 109.886 -179.617 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.593 ' SG ' HD12 ' A' ' 24' ' ' LEU . 35.4 m -65.64 -20.58 66.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.115 -0.991 . . . . 0.0 108.438 179.423 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -94.17 1.11 56.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.574 -0.704 . . . . 0.0 110.16 -179.306 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.426 HD22 ' HE3' ' A' ' 34' ' ' LYS . 49.3 t-20 -102.81 115.53 30.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.039 -1.038 . . . . 0.0 109.37 -179.817 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.575 ' HA ' HD12 ' A' ' 35' ' ' LEU . 52.5 t0 -57.02 -34.84 68.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.211 -0.931 . . . . 0.0 109.316 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -66.25 -23.18 66.37 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.627 -0.671 . . . . 0.0 109.994 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 26.4 mttt -110.99 -2.28 16.01 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.96 . . . . 0.0 109.387 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.9 mt -56.99 -44.78 83.06 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.119 179.585 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.75 -39.05 90.68 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.172 -0.955 . . . . 0.0 108.65 178.796 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -61.08 -40.8 95.05 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.425 -0.797 . . . . 0.0 108.887 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.573 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.2 mmt -70.94 -45.78 63.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.25 -0.906 . . . . 0.0 110.102 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.4 -27.89 48.97 Favored Glycine 0 N--CA 1.485 1.96 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 179.332 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.488 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 17.2 t80 -95.38 -54.14 3.51 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.749 -0.853 . . . . 0.0 110.362 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.659 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 68.5 m-85 -77.96 -44.61 26.29 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.245 -0.909 . . . . 0.0 111.179 -178.699 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -140.55 72.27 30.74 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 120.621 -1.299 . . . . 0.0 111.08 -179.307 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.15 -33.56 30.89 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.465 2.11 . . . . 0.0 111.718 179.148 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.7 t -79.35 -42.92 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 109.571 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.501 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 55.2 m -58.11 -38.22 76.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.385 -0.822 . . . . 0.0 110.635 -179.726 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.573 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.2 m -86.42 -6.02 59.02 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.085 -1.009 . . . . 0.0 110.679 -178.617 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.26 35.18 24.29 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 119.607 -1.283 . . . . 0.0 110.841 178.607 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.1 m-30 -105.57 -14.29 15.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.042 -1.269 . . . . 0.0 108.051 178.769 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t -150.02 174.87 12.25 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.49 155.06 37.92 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.318 -0.863 . . . . 0.0 109.444 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo . . . . . 0 C--N 1.306 -1.673 0 C-N-CA 122.631 2.22 . . . . 0.0 112.197 -179.834 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -72.85 146.63 46.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.224 -0.922 . . . . 0.0 109.547 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.525 ' O ' HG22 ' A' ' 3' ' ' ILE . 86.8 mt -78.82 -1.08 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.18 -0.95 . . . . 0.0 109.502 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -75.86 2.4 12.47 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.255 -0.903 . . . . 0.0 109.054 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t -85.26 1.13 49.59 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.377 -0.827 . . . . 0.0 109.516 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.82 -7.06 54.75 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.319 -0.863 . . . . 0.0 109.363 179.669 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.56 135.94 57.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 0.0 109.406 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -119.79 10.89 11.75 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.441 -0.787 . . . . 0.0 108.952 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.6 mmm -87.53 10.89 16.31 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.81 -179.136 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -72.24 -22.38 61.25 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.333 -0.854 . . . . 0.0 108.967 179.57 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -104.46 120.21 40.74 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.323 -0.861 . . . . 0.0 109.727 -179.6 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.6 m -94.5 136.21 35.05 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.555 -0.716 . . . . 0.0 109.175 179.529 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.57 151.52 49.47 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.31 -0.869 . . . . 0.0 109.968 179.824 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.57 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.3 p30 -72.85 140.63 47.73 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.488 -0.757 . . . . 0.0 109.221 179.296 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.627 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -66.38 141.11 58.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.136 -0.978 . . . . 0.0 109.446 -179.702 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -89.32 -23.35 22.28 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.355 -0.841 . . . . 0.0 109.928 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -85.24 -7.53 58.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.108 -0.995 . . . . 0.0 109.413 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -111.35 136.52 50.35 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.547 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -81.2 85.13 6.41 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.211 -0.93 . . . . 0.0 108.655 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.487 ' HB3' HG21 ' A' ' 45' ' ' THR . 22.3 m -68.74 -34.82 76.24 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.349 -0.844 . . . . 0.0 109.408 -179.376 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -61.57 -46.67 88.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.503 -0.748 . . . . 0.0 109.028 179.729 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 13.2 ttt-85 -68.87 -44.5 73.17 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.301 -0.874 . . . . 0.0 108.951 179.495 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -64.73 -36.92 85.85 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.398 -0.814 . . . . 0.0 109.396 179.453 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.603 HD12 ' SG ' ' A' ' 29' ' ' CYS . 30.4 tp -64.38 -50.94 65.71 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.275 -0.89 . . . . 0.0 110.5 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 37.7 ptt180 -66.79 -22.97 66.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.937 -1.102 . . . . 0.0 108.971 -179.785 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -77.59 -2.76 37.39 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.285 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.82 21.57 65.74 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.429 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.9 t0 -57.21 -39.3 75.15 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.246 -1.15 . . . . 0.0 109.43 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.603 ' SG ' HD12 ' A' ' 24' ' ' LEU . 32.4 m -66.95 -20.32 65.87 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.511 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -93.68 1.46 56.58 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.44 -0.787 . . . . 0.0 110.084 -179.186 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.98 117.24 34.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -0.936 . . . . 0.0 109.369 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.668 ' HA ' HD12 ' A' ' 35' ' ' LEU . 56.7 t0 -59.2 -32.43 69.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.955 . . . . 0.0 109.187 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -66.34 -24.81 66.58 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.555 -0.716 . . . . 0.0 109.417 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 75.0 mttt -111.51 -1.26 15.91 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.326 -0.859 . . . . 0.0 109.734 -179.558 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.8 mt -57.67 -48.67 78.87 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.386 -0.925 . . . . 0.0 109.771 -179.7 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.16 -38.42 90.52 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.209 -0.932 . . . . 0.0 108.615 179.239 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.36 -39.3 86.7 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.525 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 36.1 mmt -69.41 -46.64 66.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.352 -0.842 . . . . 0.0 109.88 179.504 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.75 -27.16 55.2 Favored Glycine 0 N--CA 1.487 2.076 0 N-CA-C 108.501 -1.839 . . . . 0.0 108.501 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.438 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 30.2 t80 -93.38 -51.9 4.76 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.715 -0.874 . . . . 0.0 110.35 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.584 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 46.1 m-85 -79.56 -50.26 10.98 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.138 -0.976 . . . . 0.0 111.039 -178.883 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 m -135.55 74.86 58.74 Favored Pre-proline 0 C--N 1.302 -1.47 0 O-C-N 120.727 -1.233 . . . . 0.0 110.767 -179.02 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.57 -34.84 31.65 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.331 2.02 . . . . 0.0 111.279 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.5 t -78.21 -44.29 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.506 -0.746 . . . . 0.0 109.186 179.64 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.487 HG21 ' HB3' ' A' ' 20' ' ' CYS . 45.5 m -55.07 -40.16 70.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.475 -0.766 . . . . 0.0 110.683 -179.44 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 63.9 m -86.39 -3.18 58.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.141 -0.974 . . . . 0.0 110.787 -178.68 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.47 34.97 34.27 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 119.691 -1.242 . . . . 0.0 110.813 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 18.0 m-30 -103.57 -14.85 16.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.937 -1.331 . . . . 0.0 107.904 178.573 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 t -150.31 174.11 13.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.353 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -104.11 156.25 35.99 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.111 -0.993 . . . . 0.0 109.681 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 N--CA 1.494 1.552 0 C-N-CA 123.081 2.52 . . . . 0.0 112.867 -179.817 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.305 0.574 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.578 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 53.0 p30 -68.94 145.51 53.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.867 . . . . 0.0 109.912 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.557 ' O ' HG22 ' A' ' 3' ' ' ILE . 86.4 mt -76.69 -0.54 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.255 -0.903 . . . . 0.0 109.111 179.661 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -79.02 1.11 25.09 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.218 -0.927 . . . . 0.0 109.156 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 t -82.38 -3.97 56.49 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.365 -0.834 . . . . 0.0 109.67 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.41 -10.66 58.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.89 . . . . 0.0 110.14 -179.573 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.0 128.24 35.09 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.925 -1.11 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.449 ' C ' ' OD1' ' A' ' 8' ' ' ASP . 59.0 p30 -108.67 14.02 24.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.08 -1.013 . . . . 0.0 109.1 179.577 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 59.1 mmm -84.37 14.55 4.32 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.278 -0.889 . . . . 0.0 110.076 -179.063 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -71.59 -28.38 63.78 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.469 179.476 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -104.8 120.93 42.57 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.186 -0.946 . . . . 0.0 109.288 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.1 m -107.81 135.69 48.8 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.41 151.41 49.49 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 0.0 109.715 -179.748 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.453 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 82.6 m-20 -71.08 135.06 47.52 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.157 -0.965 . . . . 0.0 108.607 179.075 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.603 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -57.45 137.99 55.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.124 -0.985 . . . . 0.0 109.451 -179.464 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -81.53 -30.59 33.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.388 -0.82 . . . . 0.0 109.872 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -86.97 0.35 55.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.936 . . . . 0.0 109.878 -179.474 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -112.09 133.91 53.95 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.148 -0.97 . . . . 0.0 109.227 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -80.6 84.39 6.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.967 -1.083 . . . . 0.0 108.229 179.612 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.3 m -70.24 -35.03 73.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.459 -0.776 . . . . 0.0 109.256 -179.311 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 1.1 tmt_? -61.16 -46.72 89.35 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.373 -0.829 . . . . 0.0 108.879 179.859 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 7.9 ttt180 -67.76 -47.15 70.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.285 -0.885 . . . . 0.0 109.479 179.404 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -61.89 -36.25 80.73 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.401 -0.812 . . . . 0.0 109.498 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' SG ' ' A' ' 29' ' ' CYS . 27.7 tp -63.52 -48.91 75.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.098 -1.001 . . . . 0.0 110.002 -179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 14.9 ptm180 -68.39 -25.02 64.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.135 -0.978 . . . . 0.0 109.287 -179.81 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -74.6 -2.54 26.47 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.421 -0.8 . . . . 0.0 109.366 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 21.81 64.07 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.692 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.401 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 11.9 t0 -59.87 -42.17 93.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.235 -1.156 . . . . 0.0 109.688 -179.866 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' HD12 ' A' ' 24' ' ' LEU . 37.9 m -64.98 -18.31 65.17 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.312 -0.867 . . . . 0.0 108.837 179.767 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -96.78 1.36 50.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 110.209 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.532 HD22 ' HE3' ' A' ' 34' ' ' LYS . 51.6 t-20 -100.81 115.51 30.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.152 -0.968 . . . . 0.0 109.576 -179.555 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.647 ' HA ' HD12 ' A' ' 35' ' ' LEU . 65.4 t0 -57.02 -33.82 67.57 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.324 -0.86 . . . . 0.0 109.308 179.845 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 63.8 t0 -68.07 -24.81 65.1 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.554 -0.716 . . . . 0.0 110.285 -179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.532 ' HE3' HD22 ' A' ' 31' ' ' ASN . 52.2 mttt -109.81 -2.08 17.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.092 -1.005 . . . . 0.0 109.436 -179.402 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.9 mt -55.54 -47.54 76.18 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.063 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.24 -40.41 95.95 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.217 -0.927 . . . . 0.0 108.686 178.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -58.02 -41.63 83.56 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.279 -0.888 . . . . 0.0 108.836 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.629 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -68.24 -47.42 67.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.383 -0.823 . . . . 0.0 110.21 -179.624 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.62 -27.79 55.38 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 179.618 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 36.1 t80 -94.38 -51.49 4.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.65 -0.912 . . . . 0.0 110.198 -179.647 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.573 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 64.2 m-85 -80.37 -46.56 15.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.449 -0.782 . . . . 0.0 110.966 -178.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.9 m -139.2 72.3 39.1 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 120.663 -1.273 . . . . 0.0 110.931 -179.283 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -66.04 -33.44 41.34 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.671 2.248 . . . . 0.0 111.558 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -78.7 -42.04 24.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.344 -0.847 . . . . 0.0 109.26 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.453 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 48.0 m -58.36 -39.17 78.82 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.57 -0.706 . . . . 0.0 110.757 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 69.3 m -87.1 -2.84 58.93 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.168 -0.957 . . . . 0.0 110.529 -178.314 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.16 37.08 29.51 Favored Glycine 0 N--CA 1.491 2.303 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.816 178.873 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.5 m-30 -106.68 -12.91 15.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.981 -1.305 . . . . 0.0 108.094 178.822 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.1 t -152.19 175.7 12.33 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.438 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -102.15 155.18 36.79 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.265 -0.897 . . . . 0.0 109.412 -179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo . . . . . 0 C--N 1.307 -1.607 0 C-N-CA 122.524 2.149 . . . . 0.0 112.434 -179.761 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -66.16 138.58 57.81 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.397 -0.814 . . . . 0.0 109.764 -179.681 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 3' ' ' ILE . 78.0 mt -75.38 -5.69 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.48 -0.763 . . . . 0.0 109.689 -179.837 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -59.52 -31.85 69.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.076 -1.015 . . . . 0.0 109.631 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.546 ' O ' ' C ' ' A' ' 6' ' ' ALA . 7.8 t -55.98 -35.0 66.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.353 -0.842 . . . . 0.0 109.547 -179.815 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.546 ' C ' ' O ' ' A' ' 5' ' ' THR . . . 33.21 51.35 0.29 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.344 -0.848 . . . . 0.0 109.664 -179.878 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.66 140.65 57.39 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.343 -0.848 . . . . 0.0 109.679 -179.721 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' GLU . 56.5 t0 -162.5 0.8 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.295 -0.878 . . . . 0.0 109.126 179.744 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 44.69 21.81 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.454 -0.779 . . . . 0.0 109.837 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' ASP . 84.6 tt0 -68.91 -25.66 64.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.173 -0.955 . . . . 0.0 109.419 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -103.19 118.13 36.1 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.181 -0.949 . . . . 0.0 109.309 -179.828 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.8 m -116.25 136.87 52.63 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.447 -0.783 . . . . 0.0 109.23 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.2 152.83 50.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.423 -0.798 . . . . 0.0 109.774 -179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -72.81 133.18 44.36 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.315 -0.866 . . . . 0.0 109.189 179.329 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.55 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -60.02 141.61 55.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 0.0 109.482 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -88.02 -23.44 23.79 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.46 -0.775 . . . . 0.0 109.854 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -86.74 -6.46 58.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.042 -1.036 . . . . 0.0 109.634 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -115.15 134.32 55.26 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.274 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -82.48 106.12 14.09 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.815 -1.178 . . . . 0.0 108.984 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.4 m -80.15 -39.87 28.49 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.505 -0.747 . . . . 0.0 109.732 -179.595 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -43.69 94.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.286 -0.884 . . . . 0.0 109.207 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 9.4 ttp180 -67.55 -47.55 69.53 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.266 -0.896 . . . . 0.0 109.55 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 m -65.07 -37.11 86.48 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.438 -0.789 . . . . 0.0 109.079 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.553 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.1 tp -64.76 -48.4 74.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.317 -0.865 . . . . 0.0 110.537 -179.837 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 24.9 ptt180 -67.92 -22.3 65.07 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.942 -1.099 . . . . 0.0 108.906 -179.741 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -81.16 -1.13 43.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.52 -0.738 . . . . 0.0 109.442 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 22.27 63.61 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 21.8 t0 -59.16 -40.53 85.87 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.22 -1.165 . . . . 0.0 109.451 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.553 ' SG ' HD12 ' A' ' 24' ' ' LEU . 29.9 m -64.44 -19.63 65.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.066 -1.021 . . . . 0.0 108.49 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -96.88 -1.11 46.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.448 -0.783 . . . . 0.0 110.052 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.417 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 47.5 t-20 -98.22 114.0 26.11 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.971 -1.081 . . . . 0.0 109.39 -179.595 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.571 ' HA ' HD12 ' A' ' 35' ' ' LEU . 75.2 m-20 -56.94 -33.73 67.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.358 -0.839 . . . . 0.0 109.022 -179.909 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -67.38 -23.7 65.61 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.701 -0.625 . . . . 0.0 110.05 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HB2' ' OD1' ' A' ' 28' ' ' ASP . 28.3 mttt -112.46 -0.54 15.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.116 -0.99 . . . . 0.0 109.971 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.9 mt -55.66 -46.25 77.54 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 108.76 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.05 -37.35 87.28 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.25 -41.22 96.54 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.157 -0.965 . . . . 0.0 108.936 179.662 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.598 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.08 -45.84 66.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.302 -0.874 . . . . 0.0 109.586 179.628 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.12 -28.93 59.06 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 21.2 t80 -94.87 -52.16 4.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.598 -0.942 . . . . 0.0 110.355 -179.77 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.55 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 67.7 m-85 -79.78 -48.98 12.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.135 -0.978 . . . . 0.0 111.25 -178.651 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' MET . 25.5 m -135.33 70.37 68.07 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 120.694 -1.254 . . . . 0.0 110.938 -178.581 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.53 -34.09 43.82 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.76 2.307 . . . . 0.0 111.703 179.117 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -77.02 -42.92 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.389 -0.819 . . . . 0.0 109.916 -179.775 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.3 m -61.36 -37.04 81.94 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.247 -0.908 . . . . 0.0 110.983 -179.373 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 58.3 m -86.31 -0.41 55.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.988 -1.07 . . . . 0.0 110.614 -178.48 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.21 35.12 39.03 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.701 -1.237 . . . . 0.0 110.497 178.563 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.8 m-30 -106.36 -13.0 15.49 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.113 -1.228 . . . . 0.0 108.084 178.853 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 t -154.37 173.56 16.04 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.632 -0.667 . . . . 0.0 109.502 179.362 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -105.41 156.17 36.77 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 121.482 -0.761 . . . . 0.0 109.307 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 C--N 1.307 -1.623 0 C-N-CA 122.834 2.356 . . . . 0.0 112.161 179.949 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -68.66 141.82 55.25 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.16 -0.962 . . . . 0.0 109.466 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' ' 3' ' ' ILE . 14.3 mm -76.54 -1.17 3.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.194 -0.942 . . . . 0.0 109.381 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -77.77 3.34 14.42 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.217 -0.927 . . . . 0.0 109.576 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 t -82.62 -1.32 50.6 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.272 -0.893 . . . . 0.0 109.166 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.03 -24.32 65.99 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.306 -0.871 . . . . 0.0 109.309 179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.33 146.87 46.6 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.0 109.436 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -108.56 10.76 27.07 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 179.232 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.7 mmm -90.07 12.52 17.49 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.569 -0.707 . . . . 0.0 110.26 -179.034 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -70.79 -24.81 62.64 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.42 -0.8 . . . . 0.0 109.749 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -100.31 123.37 44.45 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.203 -0.936 . . . . 0.0 109.554 -179.481 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 m -114.43 157.99 22.16 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.632 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.03 151.48 49.92 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.96 -1.088 . . . . 0.0 109.657 -179.644 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.586 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 55.5 p30 -69.25 138.96 54.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.185 -0.947 . . . . 0.0 109.836 -179.677 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.606 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -66.15 140.14 58.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.925 . . . . 0.0 109.37 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -85.21 -24.23 27.94 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.345 -0.847 . . . . 0.0 109.779 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -89.19 -1.96 58.3 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.228 -0.92 . . . . 0.0 109.725 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -113.17 132.06 55.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.132 -0.98 . . . . 0.0 109.104 179.792 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -79.22 84.71 5.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.082 -1.011 . . . . 0.0 108.654 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 m -70.6 -35.92 73.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.359 -0.838 . . . . 0.0 109.52 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.479 ' C ' ' CD ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.97 -47.57 85.26 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.428 -0.795 . . . . 0.0 108.88 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 12.6 ttt85 -69.8 -43.63 71.72 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.3 -0.875 . . . . 0.0 109.377 179.551 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.3 m -64.72 -37.26 86.99 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.398 -0.814 . . . . 0.0 109.29 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.582 HD12 ' SG ' ' A' ' 29' ' ' CYS . 31.3 tp -63.81 -49.11 74.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.295 -0.878 . . . . 0.0 110.393 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 24.9 ptt180 -68.54 -17.97 64.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.132 -0.98 . . . . 0.0 109.064 -179.564 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -83.36 -2.3 55.41 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.437 -0.789 . . . . 0.0 109.207 179.658 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.22 22.45 60.77 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 -179.394 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.421 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 16.3 t0 -59.52 -39.27 83.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.254 -1.145 . . . . 0.0 109.089 179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.582 ' SG ' HD12 ' A' ' 24' ' ' LEU . 27.5 m -66.95 -20.3 65.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.228 -0.92 . . . . 0.0 108.659 179.339 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -96.29 -0.94 48.94 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.419 -0.801 . . . . 0.0 110.203 -179.451 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -97.61 116.76 30.44 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.001 -1.062 . . . . 0.0 109.245 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.664 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.9 m-20 -58.55 -33.26 69.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.461 -0.774 . . . . 0.0 109.001 -179.843 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -66.38 -27.79 68.13 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.579 -0.701 . . . . 0.0 109.933 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 23.5 mttt -108.43 -1.5 19.82 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.185 -0.947 . . . . 0.0 109.831 -178.763 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 32' ' ' ASP . 11.6 mt -55.17 -46.78 75.79 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.23 -0.919 . . . . 0.0 109.449 -179.75 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.34 -38.83 92.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 108.917 179.153 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.77 -40.67 88.98 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.251 -0.906 . . . . 0.0 109.073 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.54 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -69.32 -44.52 71.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.434 -0.791 . . . . 0.0 110.397 -179.68 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.38 -27.85 63.81 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 28.4 t80 -94.96 -55.67 3.01 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.661 -0.905 . . . . 0.0 110.702 -179.581 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.562 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 69.9 m-85 -76.39 -48.36 20.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.933 . . . . 0.0 111.295 -178.738 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.488 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.8 m -135.99 70.08 63.79 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 120.717 -1.239 . . . . 0.0 111.088 -178.855 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' MET . 35.8 Cg_endo -66.71 -32.29 38.02 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.303 2.002 . . . . 0.0 111.585 179.355 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.9 t -79.58 -43.62 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.507 -0.746 . . . . 0.0 109.54 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.5 m -59.79 -37.32 78.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.307 -0.871 . . . . 0.0 110.608 -179.425 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.54 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 57.5 m -85.57 -9.13 57.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.003 -1.06 . . . . 0.0 110.265 -178.635 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.82 38.09 9.75 Favored Glycine 0 N--CA 1.491 2.335 0 C-N-CA 119.736 -1.221 . . . . 0.0 112.002 177.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 46' ' ' CYS . 36.4 m-85 -105.78 -18.64 14.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.711 -1.464 . . . . 0.0 107.739 177.915 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 m -124.91 164.16 20.69 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.51 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -99.74 127.86 32.77 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.958 . . . . 0.0 108.886 179.597 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 C--N 1.309 -1.508 0 C-N-CA 122.054 1.836 . . . . 0.0 112.067 -179.619 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.55 ' O ' ' O ' ' A' ' 2' ' ' ASP . 22.5 t-20 . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.55 ' O ' ' O ' ' A' ' 1' ' ' ASN . 53.4 m-20 56.43 125.16 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.388 -0.82 . . . . 0.0 109.538 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.406 ' O ' HG22 ' A' ' 3' ' ' ILE . 32.0 mm -77.49 -3.81 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.123 -0.985 . . . . 0.0 108.956 179.741 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -74.78 -0.8 19.47 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.38 -0.825 . . . . 0.0 108.799 179.397 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 t -85.48 -4.55 59.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.404 -0.81 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.7 -7.19 57.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -0.806 . . . . 0.0 109.402 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.01 145.37 56.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.292 -0.88 . . . . 0.0 109.466 179.753 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -112.09 12.73 20.58 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.321 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.3 mmm -85.05 20.62 1.84 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.646 -0.659 . . . . 0.0 110.454 -179.186 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -67.27 -30.79 70.76 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.121 -0.987 . . . . 0.0 109.371 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -104.32 114.92 29.49 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.279 -0.888 . . . . 0.0 109.621 -179.53 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.479 ' O ' ' OXT' ' A' ' 51' ' ' PRO . 75.9 m -113.11 137.91 50.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.412 -0.805 . . . . 0.0 109.276 179.729 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.55 149.15 47.95 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.285 -0.885 . . . . 0.0 109.976 -179.647 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.585 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 52.1 p30 -76.04 141.97 41.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.105 -0.997 . . . . 0.0 109.001 179.046 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.96 136.27 57.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.944 -1.097 . . . . 0.0 109.824 -179.413 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -86.28 -15.73 39.76 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.35 -0.843 . . . . 0.0 108.801 178.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -93.26 -15.63 25.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.551 -0.718 . . . . 0.0 109.71 -179.652 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -105.31 129.53 53.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -0.91 . . . . 0.0 109.162 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -74.83 86.71 2.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.127 -0.983 . . . . 0.0 109.03 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.67 -35.93 73.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.391 -0.818 . . . . 0.0 109.233 -179.735 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.75 ' HE ' HH21 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -58.25 -43.88 88.08 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -68.04 -46.96 69.69 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.302 -0.874 . . . . 0.0 109.598 179.402 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.5 p -65.41 -35.42 80.89 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.314 -0.866 . . . . 0.0 109.323 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD12 ' SG ' ' A' ' 29' ' ' CYS . 31.4 tp -62.57 -47.2 84.86 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.217 -0.927 . . . . 0.0 110.173 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.75 HH21 ' HE ' ' A' ' 21' ' ' ARG . 13.4 ptp180 -67.61 -25.32 65.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.147 -0.97 . . . . 0.0 109.101 -179.787 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -77.15 -2.05 32.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.459 -0.776 . . . . 0.0 109.557 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.86 23.16 60.17 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.45 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.5 t0 -60.46 -38.49 84.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.286 -1.126 . . . . 0.0 109.881 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.549 ' SG ' HD12 ' A' ' 24' ' ' LEU . 25.5 m -66.84 -20.37 65.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.993 -1.067 . . . . 0.0 108.25 179.397 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -94.69 -2.6 50.88 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.676 -0.64 . . . . 0.0 110.116 -179.433 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.503 HD22 ' HE3' ' A' ' 34' ' ' LYS . 52.2 t-20 -98.81 114.93 27.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.037 -1.039 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.642 ' HA ' HD12 ' A' ' 35' ' ' LEU . 49.7 t0 -58.42 -33.15 69.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.426 -0.796 . . . . 0.0 109.28 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -66.36 -23.85 66.41 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.368 -0.832 . . . . 0.0 109.867 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.503 ' HE3' HD22 ' A' ' 31' ' ' ASN . 42.7 mttt -111.37 -1.57 15.94 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.117 -0.99 . . . . 0.0 109.685 -179.225 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.6 mt -57.04 -44.04 82.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.179 -0.95 . . . . 0.0 109.435 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.66 -38.67 89.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.048 -1.033 . . . . 0.0 108.483 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.92 -42.22 97.7 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.609 -0.837 . . . . 0.0 108.792 179.517 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.536 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.1 mmt -70.45 -46.15 64.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.508 -0.745 . . . . 0.0 110.051 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.75 -25.91 56.67 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 108.398 -1.881 . . . . 0.0 108.398 179.383 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -95.43 -54.32 3.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.591 -0.946 . . . . 0.0 110.024 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -78.81 -47.29 16.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.164 -0.96 . . . . 0.0 111.268 -178.843 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.5 m -135.96 71.56 62.6 Favored Pre-proline 0 N--CA 1.489 1.507 0 C-N-CA 118.905 -1.118 . . . . 0.0 111.151 -178.594 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.13 -32.24 27.94 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.523 2.148 . . . . 0.0 111.28 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.7 t -78.18 -43.47 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.409 -0.807 . . . . 0.0 109.706 179.785 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.0 m -61.21 -38.29 86.07 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.393 -0.817 . . . . 0.0 110.82 -179.025 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 57.8 m -86.1 -3.29 58.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.047 -1.033 . . . . 0.0 110.618 -178.461 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.59 35.17 33.19 Favored Glycine 0 N--CA 1.491 2.327 0 C-N-CA 120.075 -1.06 . . . . 0.0 111.224 178.699 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -104.4 -10.55 17.66 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.895 -1.356 . . . . 0.0 107.933 178.563 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t -155.54 175.27 14.11 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.559 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -110.92 149.39 40.35 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.107 -0.996 . . . . 0.0 109.25 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.479 ' OXT' ' O ' ' A' ' 12' ' ' CYS . 52.4 Cg_exo . . . . . 0 C--N 1.306 -1.708 0 C-N-CA 122.116 1.878 . . . . 0.0 112.014 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 121.198 0.523 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.544 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 51.0 p30 -76.48 148.72 37.01 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.239 -0.913 . . . . 0.0 108.571 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 136.08 54.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.841 -1.162 . . . . 0.0 110.095 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.633 ' HZ3' ' ND2' ' A' ' 17' ' ' ASN . 23.7 pttm -80.34 -27.12 38.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.593 -0.692 . . . . 0.0 109.296 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.633 ' ND2' ' HZ3' ' A' ' 16' ' ' LYS . 80.9 m-20 -91.02 -8.19 49.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.43 -0.794 . . . . 0.0 109.917 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -104.94 132.43 51.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.957 . . . . 0.0 108.94 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -79.9 84.93 5.59 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.231 -0.918 . . . . 0.0 108.934 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 m -70.67 -33.94 71.47 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.303 -0.873 . . . . 0.0 109.445 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.86 -49.42 77.55 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.433 -0.792 . . . . 0.0 108.877 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HG3' HD21 ' A' ' 26' ' ' ASN . 10.1 ttt85 -67.26 -44.13 80.13 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.354 -0.841 . . . . 0.0 109.343 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.8 m -63.89 -36.2 83.15 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 109.155 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.557 HD12 ' SG ' ' A' ' 29' ' ' CYS . 34.4 tp -65.93 -46.81 76.83 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.283 -0.886 . . . . 0.0 110.661 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 31.3 ptt180 -68.48 -24.88 64.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.03 -1.044 . . . . 0.0 108.74 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.555 HD21 ' HG3' ' A' ' 22' ' ' ARG . 92.4 m-20 -76.53 -2.67 33.5 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.95 23.14 62.23 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.246 -1.541 . . . . 0.0 109.246 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.412 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.8 t0 -58.17 -39.21 78.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.321 -1.105 . . . . 0.0 109.255 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.557 ' SG ' HD12 ' A' ' 24' ' ' LEU . 25.3 m -67.02 -20.95 65.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 108.813 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -93.66 -2.0 54.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.319 -0.863 . . . . 0.0 110.172 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -98.57 113.89 26.11 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.028 -1.045 . . . . 0.0 109.183 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.609 ' HA ' HD12 ' A' ' 35' ' ' LEU . 53.9 t0 -56.42 -34.0 66.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.157 -0.965 . . . . 0.0 109.167 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -65.42 -24.65 67.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.463 -0.773 . . . . 0.0 109.959 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 27.9 mttm -110.56 -3.15 16.1 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.099 -1.001 . . . . 0.0 109.581 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.9 mt -55.27 -42.06 73.07 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.849 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -67.17 -39.58 86.49 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.29 -0.882 . . . . 0.0 108.763 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.25 -39.45 90.41 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.421 -0.799 . . . . 0.0 109.154 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.55 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.7 mmt -70.11 -46.4 64.9 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.694 -0.629 . . . . 0.0 110.483 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.89 -27.51 59.48 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.345 -1.902 . . . . 0.0 108.345 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -94.44 -53.27 3.98 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.718 -0.872 . . . . 0.0 110.38 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -80.16 -46.84 15.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.066 -1.021 . . . . 0.0 111.447 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.2 m -136.33 70.43 61.3 Favored Pre-proline 0 N--CA 1.489 1.482 0 O-C-N 120.693 -1.254 . . . . 0.0 110.869 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.81 -33.11 44.69 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.545 2.163 . . . . 0.0 111.233 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -78.42 -44.91 26.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.617 -0.677 . . . . 0.0 109.675 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.0 m -58.91 -38.87 79.91 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.407 -0.808 . . . . 0.0 110.952 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 69.7 m -85.89 -2.19 58.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.891 -1.13 . . . . 0.0 110.633 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.35 38.1 26.18 Favored Glycine 0 N--CA 1.49 2.281 0 C-N-CA 119.64 -1.267 . . . . 0.0 110.872 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.0 m-30 -107.8 -12.16 15.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.884 -1.362 . . . . 0.0 108.068 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.303 -1.415 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.197 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.435 0.636 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.511 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 88.0 m-20 -68.72 139.65 55.37 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.308 -0.87 . . . . 0.0 108.825 179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 139.51 54.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.156 -0.965 . . . . 0.0 109.565 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -83.23 -25.59 31.57 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.301 -0.874 . . . . 0.0 109.548 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -92.6 -4.02 54.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.945 . . . . 0.0 109.816 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -108.73 132.96 53.44 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.185 -0.947 . . . . 0.0 109.174 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -80.25 84.79 5.86 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.213 -0.93 . . . . 0.0 109.06 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.0 m -67.29 -34.58 77.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.309 -0.869 . . . . 0.0 108.973 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.423 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.73 -45.23 95.07 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.637 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.552 ' HG3' HD21 ' A' ' 26' ' ' ASN . 7.3 ttp180 -69.68 -47.61 62.64 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.34 -0.85 . . . . 0.0 109.524 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -63.46 -36.66 84.5 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.502 -0.749 . . . . 0.0 109.192 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.508 HD12 ' SG ' ' A' ' 29' ' ' CYS . 45.2 tp -63.74 -50.78 67.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.218 -0.926 . . . . 0.0 110.609 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 18.6 ptt180 -67.21 -25.09 65.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.09 -1.006 . . . . 0.0 109.124 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.552 HD21 ' HG3' ' A' ' 22' ' ' ARG . 94.0 m-20 -75.96 -3.03 33.28 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.46 25.39 59.01 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.403 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 14.4 t0 -60.89 -40.32 92.58 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.458 -1.025 . . . . 0.0 109.002 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.508 ' SG ' HD12 ' A' ' 24' ' ' LEU . 26.4 m -66.1 -20.69 66.24 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -96.74 2.87 52.46 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.423 -0.798 . . . . 0.0 109.869 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.472 HD22 ' HE3' ' A' ' 34' ' ' LYS . 50.3 t-20 -100.82 114.75 28.83 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 109.26 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.594 ' HA ' HD12 ' A' ' 35' ' ' LEU . 78.4 m-20 -56.63 -34.1 66.94 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.355 -0.841 . . . . 0.0 109.246 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -67.49 -25.87 66.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.404 -0.81 . . . . 0.0 109.934 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HE3' HD22 ' A' ' 31' ' ' ASN . 75.6 mttt -109.41 -2.84 17.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.23 -0.919 . . . . 0.0 109.802 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 32' ' ' ASP . 11.6 mt -52.71 -46.8 67.51 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.536 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -65.54 -39.83 92.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -0.923 . . . . 0.0 109.183 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -58.38 -40.56 82.67 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.427 -0.795 . . . . 0.0 109.332 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.596 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.3 mmt -70.47 -45.3 65.99 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.433 -0.792 . . . . 0.0 110.162 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.99 -28.14 57.8 Favored Glycine 0 N--CA 1.483 1.81 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -94.88 -55.58 3.06 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.64 -0.918 . . . . 0.0 110.662 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -77.05 -47.61 20.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.174 -0.954 . . . . 0.0 111.027 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 38' ' ' MET . 9.7 m -134.96 71.5 69.35 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 120.679 -1.263 . . . . 0.0 110.824 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.94 -33.58 32.39 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.653 2.235 . . . . 0.0 111.624 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 81.9 t -78.88 -44.32 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.524 -0.735 . . . . 0.0 110.095 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.511 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 35.2 m -59.48 -38.86 81.93 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.368 -0.832 . . . . 0.0 110.608 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.596 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 93.3 m -85.69 -13.07 49.61 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.136 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.6 36.6 8.54 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.878 -1.153 . . . . 0.0 112.214 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.54 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 38.7 m-85 -104.66 -13.12 16.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.644 -1.503 . . . . 0.0 107.54 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.301 -1.501 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 121.359 0.599 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.536 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 81.6 m-20 -63.99 138.12 58.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.334 -0.854 . . . . 0.0 109.076 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.58 136.57 58.1 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.012 -1.055 . . . . 0.0 109.674 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -75.81 -28.99 58.54 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.204 -0.935 . . . . 0.0 109.91 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -91.96 -5.48 53.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.023 -1.048 . . . . 0.0 109.947 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -103.82 133.11 49.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.131 -0.981 . . . . 0.0 109.115 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -82.12 84.75 6.93 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.247 -0.908 . . . . 0.0 108.734 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.561 ' HB3' HG21 ' A' ' 45' ' ' THR . 18.6 m -67.37 -35.43 79.33 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.469 -0.77 . . . . 0.0 109.289 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.65 HH12 ' NH1' ' A' ' 25' ' ' ARG . 1.1 tmt_? -61.14 -46.12 91.86 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.542 0.687 . . . . 0.0 109.322 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.582 ' HG3' HD21 ' A' ' 26' ' ' ASN . 13.6 ttt180 -68.77 -46.96 67.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.123 -0.985 . . . . 0.0 109.678 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.5 m -64.42 -35.59 81.41 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.511 -0.743 . . . . 0.0 109.708 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.613 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.2 tp -65.61 -50.66 64.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.973 -1.079 . . . . 0.0 110.222 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.65 ' NH1' HH12 ' A' ' 21' ' ' ARG . 39.3 ptt180 -65.91 -22.74 66.52 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.984 -1.073 . . . . 0.0 108.611 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.582 HD21 ' HG3' ' A' ' 22' ' ' ARG . 92.2 m-20 -78.37 -2.02 36.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.543 -0.723 . . . . 0.0 109.709 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.47 20.28 69.46 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.403 ' OD1' ' HB3' ' A' ' 34' ' ' LYS . 11.0 t0 -59.26 -40.14 85.08 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.434 -1.039 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.613 ' SG ' HD12 ' A' ' 24' ' ' LEU . 42.0 m -66.8 -22.03 66.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 0.0 108.642 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -93.19 -1.01 56.71 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.513 -0.742 . . . . 0.0 110.185 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -98.34 115.1 27.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.991 -1.068 . . . . 0.0 109.369 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.648 ' HA ' HD12 ' A' ' 35' ' ' LEU . 20.5 t70 -56.57 -34.07 66.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -0.897 . . . . 0.0 109.376 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -67.11 -24.05 65.89 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.537 -0.727 . . . . 0.0 110.327 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . 17.5 mttt -109.93 -2.16 17.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.205 -0.934 . . . . 0.0 110.074 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.9 mt -56.2 -44.76 79.79 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.251 -0.905 . . . . 0.0 109.427 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.06 -41.39 95.18 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.275 -0.891 . . . . 0.0 109.157 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -61.93 -38.37 88.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.433 -0.792 . . . . 0.0 109.458 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.567 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.1 mmt -68.04 -45.22 74.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.356 -0.84 . . . . 0.0 109.462 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.98 -27.41 64.62 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.283 -1.927 . . . . 0.0 108.283 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 38.1 t80 -90.14 -50.02 6.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.745 -0.856 . . . . 0.0 109.87 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -83.64 -54.26 5.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.215 -0.928 . . . . 0.0 111.042 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.5 m -131.57 76.55 74.84 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 120.76 -1.213 . . . . 0.0 110.887 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.83 -32.42 22.86 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.381 2.054 . . . . 0.0 110.639 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.7 t -78.89 -43.33 24.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.55 -0.719 . . . . 0.0 109.422 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.561 HG21 ' HB3' ' A' ' 20' ' ' CYS . 55.6 m -58.04 -39.5 78.57 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.461 -0.774 . . . . 0.0 110.781 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.567 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 70.6 m -86.46 -4.2 59.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.102 -0.999 . . . . 0.0 110.852 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.26 38.55 14.7 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.841 -1.171 . . . . 0.0 111.088 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 14.7 m-30 -108.01 -14.94 14.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.985 -1.303 . . . . 0.0 107.965 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.375 0.607 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.549 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 47.1 p30 -74.21 145.7 43.92 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.232 -0.917 . . . . 0.0 109.135 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.5 134.53 51.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.001 -1.062 . . . . 0.0 109.474 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HG3' ' HZ2' ' A' ' 16' ' ' LYS . 18.1 pttp -81.76 -25.6 35.18 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.426 -0.796 . . . . 0.0 109.47 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -88.17 -5.2 58.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.0 110.039 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -111.85 135.5 52.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.96 . . . . 0.0 109.016 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -79.96 85.27 5.59 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.214 -0.929 . . . . 0.0 108.612 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.8 m -68.62 -36.72 79.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 109.288 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.427 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.69 -46.53 90.03 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.53 ' HG3' HD21 ' A' ' 26' ' ' ASN . 12.7 ttm180 -66.78 -47.99 70.42 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.208 -0.933 . . . . 0.0 109.212 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.7 m -62.79 -35.38 79.69 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.339 -0.851 . . . . 0.0 109.164 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.599 HD12 ' SG ' ' A' ' 29' ' ' CYS . 26.8 tp -64.59 -50.87 65.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.331 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.471 HH21 ' HE ' ' A' ' 22' ' ' ARG . 29.1 ptt180 -66.44 -25.05 66.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.011 -1.056 . . . . 0.0 108.771 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.53 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.1 m-20 -75.45 -1.35 23.65 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.03 22.11 72.23 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.42 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.6 t0 -57.71 -38.67 75.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.282 -1.128 . . . . 0.0 108.993 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.599 ' SG ' HD12 ' A' ' 24' ' ' LEU . 34.7 m -66.48 -20.28 66.0 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -95.84 3.2 53.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.47 -0.768 . . . . 0.0 109.957 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -101.12 114.33 28.18 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.079 -1.013 . . . . 0.0 109.3 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.682 ' HA ' HD12 ' A' ' 35' ' ' LEU . 88.6 m-20 -55.29 -34.82 64.46 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.511 -0.743 . . . . 0.0 109.095 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -67.7 -26.1 66.0 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.641 -0.662 . . . . 0.0 110.343 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 12.9 mttm -108.41 -2.56 18.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.136 -0.977 . . . . 0.0 109.627 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.4 mt -56.02 -46.99 78.63 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.194 -0.941 . . . . 0.0 109.406 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.36 -39.74 94.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.076 -1.015 . . . . 0.0 108.964 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -61.33 -39.1 89.28 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.379 -0.826 . . . . 0.0 109.414 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.57 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.3 mmt -69.26 -44.88 71.03 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.29 -0.881 . . . . 0.0 109.932 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.66 -24.39 56.88 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 30.8 t80 -94.94 -54.92 3.27 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.755 -0.85 . . . . 0.0 110.305 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -77.82 -54.75 5.97 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.181 -0.95 . . . . 0.0 110.587 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.2 m -129.88 74.14 80.87 Favored Pre-proline 0 N--CA 1.487 1.418 0 O-C-N 120.922 -1.111 . . . . 0.0 111.139 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.46 -33.22 38.14 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.723 2.282 . . . . 0.0 111.195 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.7 t -78.69 -43.01 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.557 -0.715 . . . . 0.0 109.595 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.406 HG22 HD13 ' A' ' 24' ' ' LEU . 90.3 m -59.27 -38.29 79.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.516 -0.74 . . . . 0.0 110.92 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 62.3 m -86.53 -3.16 58.98 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.985 -1.072 . . . . 0.0 110.692 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.69 39.33 17.93 Favored Glycine 0 N--CA 1.49 2.264 0 C-N-CA 119.888 -1.148 . . . . 0.0 110.858 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.8 m-30 -110.39 -14.58 14.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.079 -1.248 . . . . 0.0 108.594 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.3 -1.575 0 O-C-N 121.576 -0.702 . . . . 0.0 109.567 179.661 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 121.332 0.587 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.533 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 43.1 p30 -67.74 139.03 56.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.337 -0.852 . . . . 0.0 109.199 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 138.8 58.26 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.919 -1.113 . . . . 0.0 109.743 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.506 ' NZ ' HD21 ' A' ' 17' ' ' ASN . 25.7 pttm -84.23 -26.28 28.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.174 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.506 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 78.2 m-20 -90.12 -7.57 53.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.441 -0.787 . . . . 0.0 110.508 -179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -109.08 131.49 55.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.879 -1.138 . . . . 0.0 108.985 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -78.0 85.94 4.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.323 -0.86 . . . . 0.0 109.492 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -68.47 -35.87 78.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.377 -0.827 . . . . 0.0 109.215 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.457 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -56.94 -42.34 79.87 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HG3' HD21 ' A' ' 26' ' ' ASN . 20.9 ttt-85 -68.62 -47.13 67.45 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.71 -0.619 . . . . 0.0 109.619 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.9 p -67.89 -35.02 77.77 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.384 -0.823 . . . . 0.0 109.053 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.665 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.0 tp -64.69 -49.36 71.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.413 -0.804 . . . . 0.0 110.391 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 44.2 ptt85 -68.07 -26.23 65.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.2 -0.937 . . . . 0.0 109.259 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.504 HD21 ' HG3' ' A' ' 22' ' ' ARG . 95.9 m-20 -75.81 -1.79 26.86 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.445 -0.785 . . . . 0.0 108.946 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.4 22.6 62.27 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.9 -40.18 79.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -1.166 . . . . 0.0 109.681 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.665 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.9 m -63.81 -20.05 65.48 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -96.02 1.91 53.01 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.56 -0.713 . . . . 0.0 110.929 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -102.64 115.69 31.09 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.946 -1.096 . . . . 0.0 109.591 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.61 ' HA ' HD12 ' A' ' 35' ' ' LEU . 85.3 m-20 -56.9 -33.4 66.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.288 -0.882 . . . . 0.0 109.236 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.85 -22.68 64.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.274 -0.891 . . . . 0.0 110.247 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -111.03 -1.87 16.13 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.969 -1.082 . . . . 0.0 109.843 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.5 mt -56.68 -43.81 80.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.183 -0.948 . . . . 0.0 109.351 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.75 -38.05 85.85 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.099 -1.001 . . . . 0.0 108.928 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -60.84 -40.75 94.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.329 -0.857 . . . . 0.0 109.126 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.488 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.9 mmt -70.87 -44.88 65.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.329 -0.857 . . . . 0.0 109.846 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.0 -28.57 58.34 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 108.158 -1.977 . . . . 0.0 108.158 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -94.07 -53.28 4.03 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.774 -0.839 . . . . 0.0 110.64 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -80.56 -48.99 11.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.093 -1.004 . . . . 0.0 111.063 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.9 m -134.87 72.54 68.22 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 120.646 -1.284 . . . . 0.0 110.995 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' MET . 47.0 Cg_endo -69.57 -33.59 17.01 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.473 2.116 . . . . 0.0 111.147 178.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.7 t -77.31 -42.34 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.646 -0.659 . . . . 0.0 109.373 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.9 m -60.97 -38.45 86.01 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.556 -0.715 . . . . 0.0 110.946 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 56.5 m -86.36 -1.95 57.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.946 -1.096 . . . . 0.0 110.629 -178.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.26 37.07 25.58 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 120.21 -0.995 . . . . 0.0 111.144 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.5 m-30 -106.36 -15.64 14.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.758 -1.436 . . . . 0.0 108.249 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.299 -1.589 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.41 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 121.455 0.645 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.569 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 55.3 p30 -76.32 148.61 37.37 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.294 -0.879 . . . . 0.0 109.348 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.16 138.09 58.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.024 -1.047 . . . . 0.0 109.551 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -87.33 -25.83 23.69 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -87.91 -6.8 57.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.574 -0.704 . . . . 0.0 109.839 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -110.56 129.88 55.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.114 -0.991 . . . . 0.0 109.347 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -75.97 84.12 2.87 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.193 -0.942 . . . . 0.0 108.562 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.427 ' HB3' HG21 ' A' ' 45' ' ' THR . 30.2 m -66.07 -34.17 77.46 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 0.0 108.871 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.05 -43.84 91.74 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.624 -0.672 . . . . 0.0 109.215 179.618 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.514 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 21.8 ttt-85 -68.28 -46.94 69.01 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.259 -0.901 . . . . 0.0 109.402 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.7 p -66.37 -34.16 77.34 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.23 -0.919 . . . . 0.0 109.063 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.613 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.0 tp -65.35 -49.93 67.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.882 . . . . 0.0 110.007 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 22.9 ptt180 -66.21 -24.71 66.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.126 -0.984 . . . . 0.0 108.954 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.508 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.3 m-20 -77.4 -1.39 29.89 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.58 -0.7 . . . . 0.0 109.424 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 21.05 66.1 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -57.43 -39.76 76.91 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.279 -1.13 . . . . 0.0 109.375 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.613 ' SG ' HD12 ' A' ' 24' ' ' LEU . 50.4 m -64.91 -21.53 66.84 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -95.36 0.5 53.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.631 -0.668 . . . . 0.0 110.097 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -99.17 113.37 25.58 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.004 -1.06 . . . . 0.0 109.072 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.56 ' HA ' HD12 ' A' ' 35' ' ' LEU . 82.9 m-20 -56.77 -34.13 67.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 109.147 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -66.38 -24.51 66.5 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.52 -0.738 . . . . 0.0 110.15 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -110.58 -3.49 15.92 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.084 -1.01 . . . . 0.0 109.777 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.7 mt -52.85 -46.2 67.73 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.227 -0.92 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.23 -37.51 85.69 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.886 . . . . 0.0 108.658 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -60.54 -40.17 90.58 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.484 -0.76 . . . . 0.0 109.417 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.576 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.3 mmt -72.0 -45.46 60.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.104 -0.997 . . . . 0.0 109.393 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.61 -27.72 49.6 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.123 -1.991 . . . . 0.0 108.123 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -95.13 -53.29 3.86 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.906 -0.761 . . . . 0.0 110.125 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -78.52 -48.38 15.39 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 110.914 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.5 m -137.43 75.41 45.34 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 120.753 -1.217 . . . . 0.0 110.994 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.01 -34.25 29.62 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.375 2.05 . . . . 0.0 111.281 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.5 t -78.83 -42.37 24.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.442 -0.786 . . . . 0.0 109.519 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.427 HG21 ' HB3' ' A' ' 20' ' ' CYS . 53.4 m -57.51 -39.8 77.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.326 -0.859 . . . . 0.0 110.52 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.576 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 59.3 m -86.48 -0.61 56.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.978 -1.076 . . . . 0.0 111.015 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.25 35.72 37.05 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 119.693 -1.241 . . . . 0.0 110.573 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.1 m-30 -104.85 -14.49 15.48 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.19 -1.182 . . . . 0.0 108.232 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.301 -1.536 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.307 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.288 0.566 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.467 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 86.9 m-20 -72.13 138.54 47.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.325 -0.859 . . . . 0.0 109.202 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.26 140.09 56.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.008 -1.057 . . . . 0.0 109.176 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -86.14 -25.25 25.85 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.305 -0.872 . . . . 0.0 109.919 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.27 -13.36 38.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.061 -1.024 . . . . 0.0 109.788 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -107.27 129.13 54.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.142 -0.974 . . . . 0.0 108.739 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -79.24 107.18 11.81 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.155 -0.966 . . . . 0.0 108.773 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 m -80.98 -34.95 32.66 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.755 -0.591 . . . . 0.0 109.563 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -43.99 94.18 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.181 -0.949 . . . . 0.0 108.586 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.538 ' HG3' HD21 ' A' ' 26' ' ' ASN . 16.9 ttt180 -66.05 -47.35 74.63 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.288 -0.883 . . . . 0.0 109.563 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.3 p -67.78 -34.68 77.27 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.222 -0.924 . . . . 0.0 109.237 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.653 HD12 ' SG ' ' A' ' 29' ' ' CYS . 27.6 tp -64.66 -50.5 66.8 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.257 -0.902 . . . . 0.0 110.091 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 36.0 ptt180 -66.41 -24.31 66.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 109.206 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.538 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.2 m-20 -78.08 -2.14 35.88 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.521 -0.737 . . . . 0.0 109.396 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.7 22.35 62.07 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.9 t0 -60.31 -38.76 84.69 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.361 -1.082 . . . . 0.0 109.391 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.653 ' SG ' HD12 ' A' ' 24' ' ' LEU . 22.3 m -67.41 -20.9 65.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.044 -1.035 . . . . 0.0 108.704 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -94.52 0.69 55.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.412 -0.805 . . . . 0.0 109.962 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -100.77 114.4 28.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.085 -1.009 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.582 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.4 m-20 -57.42 -33.93 68.4 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.349 -0.844 . . . . 0.0 109.234 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -67.94 -22.96 65.02 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.458 -0.776 . . . . 0.0 109.925 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 18.2 mttm -111.13 -1.51 16.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.208 -0.933 . . . . 0.0 109.657 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.4 mt -56.87 -45.32 82.57 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.357 -0.839 . . . . 0.0 109.16 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.19 -38.03 89.2 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.439 -0.788 . . . . 0.0 109.072 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -61.92 -41.62 98.14 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.357 -0.839 . . . . 0.0 109.147 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.564 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.9 mmt -69.62 -45.24 68.97 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.177 -0.952 . . . . 0.0 109.869 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.07 -27.66 60.15 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 29.5 t80 -94.16 -49.16 5.88 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.604 -0.939 . . . . 0.0 110.102 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -82.94 -52.69 6.45 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.236 -0.915 . . . . 0.0 110.879 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 19.1 m -131.14 71.66 81.97 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 120.873 -1.142 . . . . 0.0 110.96 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.71 -34.02 42.39 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.463 2.109 . . . . 0.0 111.597 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.9 t -78.25 -42.85 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.585 -0.697 . . . . 0.0 110.054 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.467 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 63.6 m -61.31 -36.51 80.3 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -0.975 . . . . 0.0 110.925 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.564 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 58.4 m -86.56 -5.86 59.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.932 -1.105 . . . . 0.0 110.296 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.35 35.56 22.98 Favored Glycine 0 N--CA 1.493 2.463 0 C-N-CA 119.829 -1.176 . . . . 0.0 110.918 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.7 m-30 -105.65 -11.61 16.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.79 -1.418 . . . . 0.0 107.999 178.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.301 -1.543 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.328 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.065 0.459 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.439 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 79.1 m-20 -70.95 140.55 50.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.89 . . . . 0.0 109.296 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 135.01 57.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.035 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -82.09 -20.76 37.49 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.173 -0.954 . . . . 0.0 109.688 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -94.34 -6.48 44.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.165 -0.959 . . . . 0.0 110.421 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -108.49 129.82 55.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.106 -0.996 . . . . 0.0 109.532 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -75.82 85.25 2.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 108.966 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.3 m -69.63 -34.69 74.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.481 -0.762 . . . . 0.0 109.435 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.88 -44.21 91.1 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.539 ' HG3' HD21 ' A' ' 26' ' ' ASN . 25.8 ttt-85 -67.95 -47.64 68.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.517 -0.739 . . . . 0.0 109.795 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.1 p -65.27 -35.16 80.19 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.199 -0.938 . . . . 0.0 109.343 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.619 HD12 ' SG ' ' A' ' 29' ' ' CYS . 25.1 tp -64.55 -51.7 61.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.55 -0.719 . . . . 0.0 109.918 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 23.2 ptt180 -65.65 -23.91 66.9 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.228 -0.92 . . . . 0.0 109.005 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.539 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.4 m-20 -78.21 -1.04 30.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.335 -0.853 . . . . 0.0 109.497 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.08 22.23 66.13 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -60.06 -41.25 91.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.403 -1.057 . . . . 0.0 109.696 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.619 ' SG ' HD12 ' A' ' 24' ' ' LEU . 32.4 m -64.25 -20.21 65.9 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.095 -1.003 . . . . 0.0 108.876 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -96.16 2.05 52.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.421 -0.799 . . . . 0.0 110.093 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 50.2 t-20 -100.31 113.74 26.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.148 -0.97 . . . . 0.0 109.187 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.603 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.0 m-20 -55.92 -33.77 64.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.299 -0.876 . . . . 0.0 109.205 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -67.33 -23.41 65.62 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.641 -0.662 . . . . 0.0 110.469 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HG3' ' ND2' ' A' ' 31' ' ' ASN . 22.1 mttt -111.73 -1.08 15.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.174 -0.954 . . . . 0.0 109.809 -179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 32' ' ' ASP . 16.4 mt -58.48 -43.96 89.17 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.405 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.9 -40.12 91.22 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.249 -0.907 . . . . 0.0 108.918 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.73 -38.83 89.37 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.416 -0.802 . . . . 0.0 108.997 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.568 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 36.3 mmt -68.55 -47.82 65.87 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.378 -0.826 . . . . 0.0 109.801 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.79 -23.71 51.38 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -93.18 -52.17 4.68 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.853 -0.792 . . . . 0.0 110.468 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -82.15 -56.57 3.85 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.129 -0.982 . . . . 0.0 111.035 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.5 m -128.54 73.78 80.44 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 120.941 -1.099 . . . . 0.0 110.963 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.99 -32.46 53.9 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.395 2.063 . . . . 0.0 111.009 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.3 t -80.09 -44.36 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.557 -0.714 . . . . 0.0 109.708 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.439 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 61.7 m -56.54 -38.06 71.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.148 -0.97 . . . . 0.0 110.314 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.568 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 63.5 m -86.3 -5.85 59.09 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.041 -1.037 . . . . 0.0 110.443 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.29 34.95 27.94 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.26 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 18.0 m-85 -104.23 -16.72 15.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.61 -1.524 . . . . 0.0 108.006 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.298 -1.644 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.345 -179.659 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.303 0.573 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.514 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.0 m-20 -74.15 140.57 45.28 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.289 -0.882 . . . . 0.0 109.302 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 136.33 57.23 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.215 -0.928 . . . . 0.0 108.902 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -82.61 -26.69 32.03 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.271 -0.893 . . . . 0.0 109.173 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -90.45 -4.85 56.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.445 -0.784 . . . . 0.0 110.159 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -107.72 128.9 54.98 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.053 -1.029 . . . . 0.0 109.224 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -76.27 84.91 3.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.125 -0.985 . . . . 0.0 108.531 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -69.82 -35.52 74.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.4 -0.812 . . . . 0.0 109.455 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.483 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -57.08 -44.61 83.27 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HG3' HD21 ' A' ' 26' ' ' ASN . 20.3 ttt-85 -68.01 -46.82 70.19 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.344 -0.847 . . . . 0.0 109.847 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.7 p -66.19 -34.23 77.56 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.187 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.656 HD12 ' SG ' ' A' ' 29' ' ' CYS . 27.9 tp -65.88 -49.58 67.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.324 -0.86 . . . . 0.0 110.592 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 27.3 ptt180 -68.02 -21.15 65.05 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.076 -1.015 . . . . 0.0 109.127 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.543 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.3 m-20 -80.4 -2.97 47.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.584 -0.698 . . . . 0.0 109.269 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.5 20.48 61.96 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 22.5 t0 -58.52 -40.26 82.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -1.116 . . . . 0.0 109.623 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.656 ' SG ' HD12 ' A' ' 24' ' ' LEU . 27.4 m -66.79 -18.42 65.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.129 -0.982 . . . . 0.0 108.848 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -98.05 0.63 46.56 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.427 -0.796 . . . . 0.0 110.269 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -99.08 116.2 30.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.183 -0.948 . . . . 0.0 109.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.612 ' HA ' HD12 ' A' ' 35' ' ' LEU . 85.5 m-20 -58.02 -34.21 69.79 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.08 -1.012 . . . . 0.0 109.238 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -65.93 -24.73 66.89 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.375 -0.828 . . . . 0.0 110.033 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.434 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 40.6 mttt -110.7 -1.44 16.72 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.097 -1.002 . . . . 0.0 109.876 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.6 mt -53.87 -45.53 71.04 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.231 -0.918 . . . . 0.0 109.455 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -66.26 -36.89 84.16 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.275 -0.891 . . . . 0.0 109.434 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.12 -40.92 97.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.193 -0.942 . . . . 0.0 109.435 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.67 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 36.9 mmt -70.14 -45.8 66.07 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.396 -0.815 . . . . 0.0 109.882 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.17 -26.95 56.94 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -94.39 -55.38 3.19 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.571 -0.958 . . . . 0.0 110.839 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -78.15 -48.82 15.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.244 -0.91 . . . . 0.0 110.787 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.3 m -132.52 72.6 77.79 Favored Pre-proline 0 N--CA 1.489 1.487 0 C-N-CA 119.196 -1.002 . . . . 0.0 110.706 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.49 -34.32 26.5 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.355 2.037 . . . . 0.0 111.204 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.9 t -79.13 -44.22 24.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.686 -0.634 . . . . 0.0 109.57 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.514 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 54.8 m -56.86 -39.43 74.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.561 -0.712 . . . . 0.0 110.724 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.67 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 76.4 m -86.09 -13.23 47.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.087 -1.008 . . . . 0.0 110.499 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.57 34.9 9.78 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.748 -1.215 . . . . 0.0 111.766 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' A' ' 46' ' ' CYS . 38.8 m-85 -102.5 -14.8 16.67 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.788 -1.419 . . . . 0.0 107.41 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.299 -1.6 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 121.373 0.606 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.549 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.9 m-20 -66.99 134.84 52.77 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.35 -0.844 . . . . 0.0 109.111 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 138.97 55.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.207 -0.933 . . . . 0.0 109.401 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.846 ' NZ ' HD21 ' A' ' 17' ' ' ASN . 8.7 pttm -85.46 -22.26 28.34 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.364 -0.835 . . . . 0.0 109.221 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.846 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 64.5 m-80 -88.88 -10.36 48.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.231 -0.918 . . . . 0.0 109.042 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -107.92 133.92 51.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.021 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -81.4 86.34 6.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.001 -1.062 . . . . 0.0 108.718 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -68.39 -36.52 79.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.203 -0.936 . . . . 0.0 109.874 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.426 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.28 -45.32 91.55 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.46 ' HG3' HD21 ' A' ' 26' ' ' ASN . 16.6 ttt-85 -69.32 -47.24 65.01 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.185 -0.947 . . . . 0.0 109.188 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -61.89 -37.64 85.35 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.335 -0.853 . . . . 0.0 109.597 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' SG ' ' A' ' 29' ' ' CYS . 40.9 tp -62.59 -49.29 75.82 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.291 -0.88 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 8.3 ptm180 -67.24 -22.73 65.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.963 -1.086 . . . . 0.0 108.872 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.46 HD21 ' HG3' ' A' ' 22' ' ' ARG . 95.7 m-20 -77.79 -1.51 31.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.504 -0.748 . . . . 0.0 109.33 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.43 22.42 64.89 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.448 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 19.8 t0 -59.19 -40.26 85.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -1.061 . . . . 0.0 109.072 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' HD12 ' A' ' 24' ' ' LEU . 21.2 m -67.03 -21.06 65.94 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -94.59 -0.77 54.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.409 -0.807 . . . . 0.0 110.132 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.466 HD22 ' HE3' ' A' ' 34' ' ' LYS . 59.6 t-20 -98.95 114.5 27.16 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.892 -1.13 . . . . 0.0 109.24 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.597 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.2 m-20 -57.23 -32.28 66.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 0.0 109.029 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -68.51 -22.07 64.55 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.698 -0.626 . . . . 0.0 110.326 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HE3' HD22 ' A' ' 31' ' ' ASN . 32.4 mttt -113.16 -2.11 14.2 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.089 -1.007 . . . . 0.0 109.41 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 32' ' ' ASP . 15.0 mt -55.7 -44.31 77.3 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.251 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.15 -38.6 91.12 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.252 -0.905 . . . . 0.0 108.841 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -61.93 -39.0 90.55 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.323 -0.861 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.553 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.4 mmt -70.67 -48.28 55.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.485 -0.76 . . . . 0.0 109.707 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.37 -26.33 50.91 Favored Glycine 0 N--CA 1.485 1.952 0 N-CA-C 108.265 -1.934 . . . . 0.0 108.265 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -95.27 -54.39 3.43 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.49 -1.006 . . . . 0.0 110.599 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -80.93 -48.54 12.18 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.103 -0.998 . . . . 0.0 111.071 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.3 m -131.83 69.45 81.06 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 120.99 -1.069 . . . . 0.0 110.779 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' MET . 40.2 Cg_endo -67.47 -33.95 27.7 Favored 'Trans proline' 0 C--N 1.303 -1.86 0 C-N-CA 122.424 2.083 . . . . 0.0 111.668 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.0 t -78.61 -41.84 25.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.52 -0.737 . . . . 0.0 110.039 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.549 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 33.9 m -61.83 -38.25 87.49 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.251 -0.906 . . . . 0.0 110.712 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.553 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 67.4 m -85.8 0.33 53.22 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.158 -0.964 . . . . 0.0 110.636 -178.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.43 38.75 32.47 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 120.015 -1.088 . . . . 0.0 110.726 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -109.15 -12.47 14.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.181 -1.188 . . . . 0.0 108.224 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.645 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 121.194 0.521 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.603 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 50.2 p30 -75.81 138.96 41.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.039 -1.038 . . . . 0.0 108.823 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.566 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -59.78 140.91 56.19 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.034 -1.041 . . . . 0.0 109.798 -179.499 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -85.8 -25.26 26.43 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.239 -0.913 . . . . 0.0 109.376 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -86.72 -2.92 58.93 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.223 -0.923 . . . . 0.0 109.503 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -113.2 132.58 55.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.452 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -79.78 84.98 5.51 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.099 -1.0 . . . . 0.0 108.783 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.2 m -71.67 -36.18 70.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.512 -0.742 . . . . 0.0 109.797 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.08 -48.16 82.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.287 -0.883 . . . . 0.0 108.888 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.557 ' HG3' HD21 ' A' ' 26' ' ' ASN . 10.8 ttm180 -68.26 -46.12 71.3 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.212 -0.93 . . . . 0.0 109.551 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -62.17 -35.74 79.75 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.22 -0.925 . . . . 0.0 109.073 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.517 HD12 ' SG ' ' A' ' 29' ' ' CYS . 41.1 tp -65.46 -47.37 76.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.466 -0.771 . . . . 0.0 110.394 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.54 HH21 ' HE ' ' A' ' 22' ' ' ARG . 40.9 ptt85 -69.68 -19.41 63.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.932 -1.105 . . . . 0.0 109.019 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.557 HD21 ' HG3' ' A' ' 22' ' ' ARG . 93.6 m-20 -82.14 -1.04 47.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.418 -0.802 . . . . 0.0 109.246 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.72 23.58 59.77 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.4 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 14.5 t0 -59.54 -40.49 87.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.229 -1.159 . . . . 0.0 109.222 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.517 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.3 m -65.42 -20.31 66.31 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.34 -0.85 . . . . 0.0 108.818 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -96.18 -1.12 48.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.515 -0.74 . . . . 0.0 110.135 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -98.7 114.28 26.71 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.011 -1.055 . . . . 0.0 109.057 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.56 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.1 m-20 -56.94 -34.38 67.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 109.547 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.55 -23.21 65.4 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.514 -0.741 . . . . 0.0 109.896 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 19.5 mttt -109.8 -1.71 17.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.116 -0.99 . . . . 0.0 109.762 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 32' ' ' ASP . 15.5 mt -56.4 -44.05 79.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.124 -0.985 . . . . 0.0 109.717 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.65 -40.41 92.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.124 -0.985 . . . . 0.0 109.006 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -59.65 -39.56 84.83 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.352 -0.842 . . . . 0.0 109.098 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.528 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.22 -46.7 63.99 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.203 -0.936 . . . . 0.0 109.73 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.59 -28.28 56.01 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 33.7 t80 -94.44 -56.81 2.68 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.778 -0.836 . . . . 0.0 110.065 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.559 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 84.4 m-85 -77.28 -42.85 35.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.0 111.298 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.505 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -139.63 71.34 37.4 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 120.504 -1.373 . . . . 0.0 111.488 -178.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.12 -34.8 27.23 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.514 2.143 . . . . 0.0 111.571 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.2 t -77.69 -43.87 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.517 -0.739 . . . . 0.0 109.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.8 m -59.4 -39.24 82.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.419 -0.801 . . . . 0.0 110.908 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 64.4 m -86.65 -0.48 56.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.994 -1.066 . . . . 0.0 110.881 -178.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.11 36.95 33.81 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.68 -1.248 . . . . 0.0 110.461 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.4 m-30 -106.75 -11.23 15.85 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.961 -1.317 . . . . 0.0 108.561 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.301 -1.534 0 O-C-N 121.523 -0.736 . . . . 0.0 109.421 179.323 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.477 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 85.7 m-20 -70.27 139.51 52.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.197 -0.939 . . . . 0.0 109.408 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -61.34 141.05 57.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.077 -1.014 . . . . 0.0 109.625 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -85.48 -24.66 27.28 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.435 -0.79 . . . . 0.0 109.845 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.79 -2.92 58.84 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.272 -0.893 . . . . 0.0 109.648 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -112.97 136.0 53.12 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.441 -0.787 . . . . 0.0 109.422 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -82.73 84.98 7.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.127 -0.983 . . . . 0.0 109.193 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -69.29 -37.07 77.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.218 -0.926 . . . . 0.0 109.541 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -58.83 -45.62 89.58 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.525 ' HG3' HD21 ' A' ' 26' ' ' ASN . 13.4 ttt180 -70.1 -44.59 68.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.339 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.0 m -64.16 -36.64 84.72 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.346 -0.847 . . . . 0.0 109.538 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.4 tp -63.32 -49.05 75.48 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.143 -0.973 . . . . 0.0 110.304 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 28.5 ptt180 -68.13 -23.55 64.91 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.11 -0.994 . . . . 0.0 109.094 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.525 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.5 m-20 -77.1 -2.16 32.79 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.66 20.85 67.68 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 108.871 -1.692 . . . . 0.0 108.871 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 14.5 t0 -57.94 -39.68 78.65 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.389 -1.065 . . . . 0.0 109.195 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.59 ' SG ' HD12 ' A' ' 24' ' ' LEU . 34.2 m -66.31 -19.53 65.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.876 . . . . 0.0 108.684 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -98.28 2.35 48.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.481 -0.762 . . . . 0.0 110.27 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.503 HD22 ' HE3' ' A' ' 34' ' ' LYS . 55.0 t-20 -100.4 116.66 32.89 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.126 -0.983 . . . . 0.0 109.671 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.633 ' HA ' HD12 ' A' ' 35' ' ' LEU . 82.4 m-20 -57.5 -34.82 69.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.397 -0.814 . . . . 0.0 108.938 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -66.35 -27.92 68.26 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.63 -0.668 . . . . 0.0 110.196 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.503 ' HE3' HD22 ' A' ' 31' ' ' ASN . 65.4 mttt -108.37 -2.71 18.91 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.099 -1.0 . . . . 0.0 110.019 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.1 mt -51.79 -44.74 63.55 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.201 -0.937 . . . . 0.0 109.239 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.84 -38.35 83.07 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.195 -0.94 . . . . 0.0 109.259 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.75 -39.43 88.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.199 -0.938 . . . . 0.0 109.074 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.6 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -71.16 -47.93 54.84 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.219 -0.925 . . . . 0.0 109.852 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.51 -28.82 45.98 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.504 -1.838 . . . . 0.0 108.504 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -94.96 -56.93 2.58 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.545 -0.973 . . . . 0.0 110.321 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.543 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 69.5 m-85 -74.84 -40.29 61.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.179 -0.95 . . . . 0.0 111.249 -178.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.1 m -142.28 69.97 22.19 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 120.707 -1.246 . . . . 0.0 111.094 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -65.46 -33.45 46.76 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.595 2.197 . . . . 0.0 111.735 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.6 t -80.5 -43.85 21.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.488 -0.758 . . . . 0.0 110.34 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.477 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 41.6 m -59.46 -38.53 80.99 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.255 -0.903 . . . . 0.0 110.711 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.6 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 93.2 m -85.96 -11.5 52.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.922 -1.111 . . . . 0.0 110.613 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.53 41.01 7.51 Favored Glycine 0 N--CA 1.491 2.32 0 C-N-CA 119.734 -1.222 . . . . 0.0 111.854 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.549 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 38.1 m-85 -108.12 -15.93 14.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.829 -1.395 . . . . 0.0 108.059 177.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.299 -1.591 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.92 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 121.317 0.58 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.516 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 51.6 p30 -65.64 142.28 58.11 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.358 -0.838 . . . . 0.0 109.399 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.36 138.18 57.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.149 -0.969 . . . . 0.0 109.393 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.848 ' NZ ' HD21 ' A' ' 17' ' ' ASN . 2.6 pttm -85.41 -21.13 28.92 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.332 -0.855 . . . . 0.0 109.241 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.848 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 71.3 m-80 -90.05 -9.88 46.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.303 -0.873 . . . . 0.0 109.471 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -111.11 135.42 51.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.41 -0.806 . . . . 0.0 108.965 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -80.63 84.85 6.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.025 -1.047 . . . . 0.0 109.426 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 m -66.66 -33.34 75.43 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.354 -0.841 . . . . 0.0 109.106 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.533 HH12 ' NH1' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -61.69 -48.28 81.49 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.608 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.568 ' HG3' HD21 ' A' ' 26' ' ' ASN . 13.5 ttt180 -66.66 -46.83 74.44 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.385 -0.822 . . . . 0.0 109.858 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -63.79 -37.04 85.91 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.14 -0.975 . . . . 0.0 109.182 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.571 HD12 ' SG ' ' A' ' 29' ' ' CYS . 32.0 tp -63.08 -50.24 71.34 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.204 -0.935 . . . . 0.0 110.267 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.533 ' NH1' HH12 ' A' ' 21' ' ' ARG . 41.1 ptt180 -65.98 -21.94 66.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.064 -1.022 . . . . 0.0 108.818 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.568 HD21 ' HG3' ' A' ' 22' ' ' ARG . 88.0 m-20 -79.95 -2.35 43.52 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.569 -0.707 . . . . 0.0 109.248 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.41 21.29 64.87 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.414 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 10.1 t0 -58.25 -39.36 78.95 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.399 -1.06 . . . . 0.0 109.292 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.571 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.9 m -67.11 -21.01 65.87 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.309 -0.87 . . . . 0.0 108.668 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -95.13 -0.65 53.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.436 -0.79 . . . . 0.0 109.844 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.427 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 64.5 t-20 -96.72 115.67 27.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.091 -1.005 . . . . 0.0 108.979 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.563 ' HA ' HD12 ' A' ' 35' ' ' LEU . 82.3 m-20 -59.16 -32.95 70.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.201 -0.937 . . . . 0.0 108.938 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 63.7 t0 -67.93 -21.99 65.08 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.552 -0.717 . . . . 0.0 110.097 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HG3' ' ND2' ' A' ' 31' ' ' ASN . 18.9 mttt -112.29 -2.13 14.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.986 -1.071 . . . . 0.0 110.051 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.8 mt -54.6 -48.22 72.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.982 -1.074 . . . . 0.0 109.409 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.6 -39.27 93.43 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.351 -0.843 . . . . 0.0 108.853 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.33 -40.04 89.2 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.531 -0.73 . . . . 0.0 109.051 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.503 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.58 -45.62 65.02 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.245 -0.909 . . . . 0.0 109.6 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.07 -26.4 55.65 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 108.31 -1.916 . . . . 0.0 108.31 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -92.47 -54.01 3.97 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.713 -0.874 . . . . 0.0 110.247 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -82.32 -49.57 9.89 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 111.191 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.1 m -130.92 71.08 82.6 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.854 -1.154 . . . . 0.0 111.494 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.85 -33.02 28.01 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.574 2.183 . . . . 0.0 111.359 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.3 t -79.04 -44.82 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.334 -0.854 . . . . 0.0 109.753 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.2 m -59.4 -37.78 78.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.298 -0.876 . . . . 0.0 110.901 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 61.4 m -86.1 -4.0 59.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.917 -1.114 . . . . 0.0 110.455 -178.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.59 36.74 22.25 Favored Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.798 -1.191 . . . . 0.0 111.19 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -106.03 -12.15 15.89 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.992 -1.299 . . . . 0.0 108.158 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.79 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.599 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 52.9 p30 -74.05 140.25 45.25 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.168 -0.958 . . . . 0.0 108.965 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 137.35 58.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.019 -1.051 . . . . 0.0 109.702 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -83.97 -24.36 30.67 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 109.395 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -89.54 -6.18 56.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.66 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -111.27 136.21 50.7 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.35 -0.844 . . . . 0.0 109.239 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -81.92 85.06 6.75 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.278 -0.889 . . . . 0.0 109.058 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.2 m -67.08 -34.42 77.61 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -61.39 -47.89 83.73 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.527 0.679 . . . . 0.0 109.244 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.552 ' HG3' HD21 ' A' ' 26' ' ' ASN . 23.4 ttt-85 -68.41 -45.54 72.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.251 -0.906 . . . . 0.0 109.348 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m -63.06 -35.23 79.56 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.392 -0.818 . . . . 0.0 109.41 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.594 HD12 ' SG ' ' A' ' 29' ' ' CYS . 33.8 tp -65.8 -50.36 64.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.213 -0.929 . . . . 0.0 110.31 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 22.4 ptt180 -67.59 -21.45 65.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.165 -0.959 . . . . 0.0 109.109 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.552 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.9 m-20 -78.69 -3.2 42.94 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.41 -0.806 . . . . 0.0 108.918 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.01 21.42 61.17 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.0 t0 -58.38 -41.24 84.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -1.12 . . . . 0.0 109.59 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.594 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.1 m -65.01 -20.23 66.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.17 -0.956 . . . . 0.0 109.013 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.479 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 59.8 t0 -96.67 -0.61 48.16 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.439 -0.788 . . . . 0.0 110.136 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.501 HD22 ' HE3' ' A' ' 34' ' ' LYS . 57.4 t-20 -98.25 116.32 30.22 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.114 -0.991 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 35' ' ' LEU . 79.3 m-20 -58.14 -33.53 69.28 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.305 -0.872 . . . . 0.0 108.998 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -67.53 -23.17 65.41 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.625 -0.672 . . . . 0.0 109.981 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.501 ' HE3' HD22 ' A' ' 31' ' ' ASN . 74.5 mttt -113.11 1.49 15.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.067 -1.021 . . . . 0.0 109.775 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.509 HD21 ' O ' ' A' ' 29' ' ' CYS . 13.8 mt -58.71 -43.79 90.18 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.969 -1.082 . . . . 0.0 109.193 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.22 -38.8 88.8 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.323 -0.861 . . . . 0.0 108.705 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -60.7 -40.15 91.19 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.364 -0.835 . . . . 0.0 109.188 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.528 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.38 -47.94 58.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.412 -0.805 . . . . 0.0 109.935 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.23 -29.31 56.16 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.466 -1.854 . . . . 0.0 108.466 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 26.0 t80 -93.09 -51.55 4.99 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.542 -0.975 . . . . 0.0 110.351 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -81.1 -51.82 8.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.199 -0.938 . . . . 0.0 111.027 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.6 m -131.52 72.04 80.8 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 120.805 -1.185 . . . . 0.0 110.976 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.32 -32.77 32.05 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.61 2.207 . . . . 0.0 111.378 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.8 -44.63 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.583 -0.698 . . . . 0.0 109.732 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.3 m -60.15 -37.99 81.79 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.337 -0.852 . . . . 0.0 111.177 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 65.6 m -86.22 -4.43 59.17 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.871 -1.143 . . . . 0.0 110.783 -178.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.31 35.79 22.5 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.78 -1.2 . . . . 0.0 111.088 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.0 m-30 -107.25 -11.11 15.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.005 -1.291 . . . . 0.0 108.316 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.3 -1.573 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.231 179.784 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 121.106 0.479 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.498 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 84.4 m-20 -67.02 134.71 52.48 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.126 -0.984 . . . . 0.0 109.192 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.547 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -60.52 139.17 57.87 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.177 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -80.95 -28.23 35.76 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.885 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -87.07 -1.56 57.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.229 -0.919 . . . . 0.0 110.111 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -113.32 131.56 55.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.186 -0.946 . . . . 0.0 108.858 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -80.68 85.86 5.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.251 -0.906 . . . . 0.0 108.986 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.426 ' HB3' HG21 ' A' ' 45' ' ' THR . 10.5 m -68.99 -35.11 76.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.507 -0.746 . . . . 0.0 109.664 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.48 -47.91 84.06 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.767 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.558 ' HG3' HD21 ' A' ' 26' ' ' ASN . 6.6 ttp180 -69.4 -46.22 67.38 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.454 -0.779 . . . . 0.0 109.644 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 m -61.91 -37.11 83.39 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.265 -0.897 . . . . 0.0 109.047 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.683 HD12 ' SG ' ' A' ' 29' ' ' CYS . 24.8 tp -63.67 -49.48 73.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.388 -0.82 . . . . 0.0 110.41 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 43.5 ptt85 -68.5 -19.86 64.55 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.131 -0.981 . . . . 0.0 108.392 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.558 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.5 m-20 -80.2 -1.75 41.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.487 -0.758 . . . . 0.0 109.623 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.45 21.94 63.48 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.254 -1.539 . . . . 0.0 109.254 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.469 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 17.0 t0 -61.28 -41.43 96.93 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.292 -1.122 . . . . 0.0 109.632 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.683 ' SG ' HD12 ' A' ' 24' ' ' LEU . 41.0 m -64.56 -19.28 65.54 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.066 -1.021 . . . . 0.0 109.126 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -97.59 0.74 47.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.542 -0.724 . . . . 0.0 110.408 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -99.57 113.98 26.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.972 -1.08 . . . . 0.0 109.896 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.61 ' HA ' HD12 ' A' ' 35' ' ' LEU . 83.7 m-20 -56.35 -32.95 65.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.329 -0.857 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -69.46 -21.83 63.68 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.45 -0.781 . . . . 0.0 110.399 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 15.8 mttt -112.51 -2.43 14.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.954 -1.091 . . . . 0.0 109.712 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.8 mt -55.73 -42.96 76.11 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.044 -1.035 . . . . 0.0 109.33 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.58 -39.15 91.29 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.081 -1.012 . . . . 0.0 108.762 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -61.74 -39.35 91.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.41 -0.806 . . . . 0.0 109.14 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.547 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.6 mmt -70.17 -44.93 67.76 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.3 -0.875 . . . . 0.0 109.904 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.3 -27.17 65.01 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.707 -1.757 . . . . 0.0 108.707 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 27.6 t80 -94.57 -52.62 4.23 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.688 -0.89 . . . . 0.0 110.097 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.547 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 66.4 m-85 -79.05 -49.99 11.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.185 -0.947 . . . . 0.0 110.813 -178.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.0 m -137.25 74.63 48.23 Favored Pre-proline 0 N--CA 1.488 1.449 0 O-C-N 120.538 -1.351 . . . . 0.0 111.173 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.6 -32.62 30.6 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.456 2.104 . . . . 0.0 111.127 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.0 t -77.97 -42.41 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.468 -0.77 . . . . 0.0 109.406 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.498 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 68.7 m -59.18 -39.44 82.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.443 -0.786 . . . . 0.0 110.463 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.547 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 62.5 m -86.43 -4.82 59.24 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.092 -1.005 . . . . 0.0 110.95 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.91 36.33 19.09 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.823 -1.18 . . . . 0.0 110.792 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.6 m-30 -106.18 -12.33 15.77 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.215 -1.168 . . . . 0.0 107.92 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.301 -1.532 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.406 179.431 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 121.37 0.605 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.484 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 95.3 m-20 -68.46 133.07 48.07 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.317 -0.864 . . . . 0.0 109.406 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.63 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -59.52 139.94 56.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.38 -0.825 . . . . 0.0 109.166 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.734 ' NZ ' HD21 ' A' ' 17' ' ' ASN . 1.3 pttm -86.07 -20.35 28.89 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.301 -0.875 . . . . 0.0 109.498 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.734 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 67.7 m-80 -88.61 -5.17 58.33 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.907 . . . . 0.0 109.401 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -115.12 134.41 55.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.324 -0.86 . . . . 0.0 109.69 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -79.41 85.26 5.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.319 -0.863 . . . . 0.0 108.903 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.6 m -68.17 -35.03 77.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.384 -0.823 . . . . 0.0 109.598 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.765 ' CZ ' HH21 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.5 -48.95 75.5 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.566 -0.709 . . . . 0.0 109.339 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.542 ' HG3' HD21 ' A' ' 26' ' ' ASN . 20.5 ttt-85 -66.13 -45.45 81.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 109.361 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -64.08 -35.83 82.03 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.453 -0.779 . . . . 0.0 109.42 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.585 HD12 ' SG ' ' A' ' 29' ' ' CYS . 31.3 tp -64.33 -48.14 76.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.3 -0.875 . . . . 0.0 110.158 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.765 HH21 ' CZ ' ' A' ' 21' ' ' ARG . 8.8 ptp180 -66.3 -24.21 66.51 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.039 -1.038 . . . . 0.0 108.678 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.542 HD21 ' HG3' ' A' ' 22' ' ' ARG . 88.9 m-20 -77.8 -4.51 46.83 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.624 -0.672 . . . . 0.0 109.2 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.6 20.32 62.09 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 11.1 t0 -56.55 -39.8 74.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.265 -1.138 . . . . 0.0 109.597 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.585 ' SG ' HD12 ' A' ' 24' ' ' LEU . 33.1 m -66.22 -21.08 66.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.156 -0.965 . . . . 0.0 108.84 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -94.89 -0.73 53.74 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.396 -0.815 . . . . 0.0 110.098 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -98.96 113.55 25.76 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.038 -1.039 . . . . 0.0 109.284 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.515 ' HA ' HD12 ' A' ' 35' ' ' LEU . 79.0 m-20 -56.16 -34.49 66.21 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.267 -0.896 . . . . 0.0 108.905 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.32 -23.02 66.29 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.557 -0.714 . . . . 0.0 109.997 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -112.52 0.06 15.38 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.114 -0.991 . . . . 0.0 109.882 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.537 HD21 ' O ' ' A' ' 29' ' ' CYS . 14.7 mt -57.66 -44.0 85.39 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.99 -1.068 . . . . 0.0 109.127 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.21 -38.89 91.87 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.212 -0.93 . . . . 0.0 108.731 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.22 -41.41 93.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.344 -0.847 . . . . 0.0 108.956 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.563 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.63 -46.75 62.73 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.512 -0.743 . . . . 0.0 110.168 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.56 -27.32 54.25 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 108.434 -1.866 . . . . 0.0 108.434 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 27.1 t80 -95.31 -53.35 3.8 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.775 -0.838 . . . . 0.0 110.231 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.536 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 73.1 m-85 -79.9 -45.44 18.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.394 -0.816 . . . . 0.0 111.478 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.4 m -137.49 69.21 53.74 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 120.715 -1.241 . . . . 0.0 111.051 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.07 -32.14 53.72 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.289 1.993 . . . . 0.0 111.273 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.9 t -79.95 -45.92 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.471 -0.768 . . . . 0.0 109.989 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.484 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 41.2 m -56.56 -38.47 71.98 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.12 -0.988 . . . . 0.0 110.547 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.563 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 85.6 m -86.32 -8.41 57.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.118 -0.989 . . . . 0.0 110.598 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.96 35.03 16.6 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.689 -1.244 . . . . 0.0 111.375 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -103.62 -11.09 17.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.951 -1.323 . . . . 0.0 107.8 178.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.299 -1.624 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.674 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.418 0.628 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.507 ' OD2' ' OG1' ' A' ' 45' ' ' THR . 86.4 m-20 -70.64 140.9 51.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.249 -0.907 . . . . 0.0 108.953 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.601 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -60.79 140.24 57.67 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.207 -0.933 . . . . 0.0 109.633 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -83.13 -25.96 31.44 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.391 -0.818 . . . . 0.0 110.034 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -89.05 -3.75 58.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.178 -0.951 . . . . 0.0 110.07 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.431 ' HE1' ' HG ' ' A' ' 23' ' ' SER . 39.8 t80 -110.74 133.96 52.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.366 -0.834 . . . . 0.0 109.265 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -81.48 85.92 6.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.001 -1.062 . . . . 0.0 109.255 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.9 m -68.05 -35.63 78.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.294 -0.879 . . . . 0.0 109.625 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.6 -46.56 89.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.537 -0.727 . . . . 0.0 109.082 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.674 ' NH1' HD21 ' A' ' 26' ' ' ASN . 7.9 ttt85 -69.04 -45.34 70.66 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.245 -0.909 . . . . 0.0 109.494 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.431 ' HG ' ' HE1' ' A' ' 18' ' ' PHE . 65.0 m -64.62 -35.7 81.87 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.152 -0.967 . . . . 0.0 109.495 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.578 HD12 ' SG ' ' A' ' 29' ' ' CYS . 38.4 tp -65.21 -49.59 69.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.107 -0.996 . . . . 0.0 110.387 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.503 ' NH2' HH11 ' A' ' 22' ' ' ARG . 40.0 ptt85 -66.41 -23.81 66.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.005 -1.06 . . . . 0.0 109.052 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.674 HD21 ' NH1' ' A' ' 22' ' ' ARG . 96.3 m-20 -78.27 -1.76 34.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.456 -0.778 . . . . 0.0 109.704 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.49 20.27 64.51 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 11.9 t0 -57.83 -40.19 79.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.33 -1.1 . . . . 0.0 109.628 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.578 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.6 m -66.19 -21.53 66.32 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.155 -0.966 . . . . 0.0 108.617 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -96.27 0.89 51.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.495 -0.753 . . . . 0.0 109.984 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -98.44 115.56 28.79 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.219 -0.926 . . . . 0.0 108.864 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.631 ' HA ' HD12 ' A' ' 35' ' ' LEU . 84.1 m-20 -59.48 -33.15 70.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.213 -0.93 . . . . 0.0 108.925 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -67.2 -25.9 66.35 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.465 -0.772 . . . . 0.0 109.641 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HG3' ' HZ3' ' A' ' 34' ' ' LYS . 9.9 mttm -109.45 -0.45 18.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.133 -0.979 . . . . 0.0 109.585 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 32' ' ' ASP . 11.0 mt -55.97 -44.67 78.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.084 -1.01 . . . . 0.0 109.268 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.14 -37.85 86.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.35 -0.844 . . . . 0.0 109.116 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.34 -39.74 91.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.276 -0.89 . . . . 0.0 109.353 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.546 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.16 -47.4 61.78 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.38 -0.825 . . . . 0.0 110.203 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.29 -28.06 54.09 Favored Glycine 0 N--CA 1.487 2.083 0 N-CA-C 108.181 -1.968 . . . . 0.0 108.181 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 30.1 t80 -95.29 -53.97 3.58 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.602 -0.94 . . . . 0.0 110.697 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.528 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 70.4 m-85 -78.73 -46.55 18.71 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.251 -0.906 . . . . 0.0 110.749 -178.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.483 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.8 m -135.09 71.62 68.4 Favored Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 120.875 -1.141 . . . . 0.0 111.225 -178.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.31 -34.15 28.07 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.395 2.064 . . . . 0.0 111.637 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.1 t -79.95 -43.45 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.452 -0.78 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.507 ' OG1' ' OD2' ' A' ' 14' ' ' ASP . 33.8 m -59.3 -39.24 82.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.092 -1.005 . . . . 0.0 110.385 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.557 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 69.5 m -85.6 -10.65 55.55 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.992 -1.068 . . . . 0.0 110.127 -179.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.71 37.96 11.18 Favored Glycine 0 N--CA 1.494 2.504 0 O-C-N 120.92 -1.113 . . . . 0.0 112.132 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.557 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 35.7 m-85 -104.3 -14.96 15.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.684 -1.48 . . . . 0.0 107.445 177.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.302 -1.478 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.195 0.521 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.49 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 82.2 m-20 -71.61 137.52 48.01 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.192 -0.942 . . . . 0.0 108.953 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.623 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -61.31 138.75 58.24 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.824 -179.803 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' NZ ' HD21 ' A' ' 17' ' ' ASN . 24.9 pttm -84.16 -24.14 30.32 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.528 -0.733 . . . . 0.0 109.8 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.535 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 71.0 m-80 -86.86 -6.6 58.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.16 -0.963 . . . . 0.0 110.091 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -111.24 134.18 53.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.252 -0.905 . . . . 0.0 109.58 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -79.79 86.67 5.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.956 -1.09 . . . . 0.0 108.609 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.78 -33.72 68.83 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.451 -0.781 . . . . 0.0 109.84 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -62.66 -49.86 73.48 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.349 -0.844 . . . . 0.0 108.85 -179.825 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.526 ' HG3' HD21 ' A' ' 26' ' ' ASN . 19.4 ttt-85 -66.94 -44.42 80.67 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.201 -0.937 . . . . 0.0 109.567 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.8 m -63.18 -36.21 82.88 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.237 -0.914 . . . . 0.0 109.565 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.814 HD12 HG22 ' A' ' 45' ' ' THR . 5.1 tt -63.6 -50.17 70.44 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.911 -1.118 . . . . 0.0 110.193 -179.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 44.5 ptt85 -66.67 -23.81 66.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.885 -1.134 . . . . 0.0 108.796 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.526 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.7 m-20 -75.16 -2.9 29.89 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.54 -0.725 . . . . 0.0 109.254 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.03 13.52 74.36 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -56.5 -40.72 75.45 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.994 -1.298 . . . . 0.0 109.16 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.427 ' O ' HD21 ' A' ' 35' ' ' LEU . 54.2 m -67.99 -22.01 65.03 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -96.72 2.64 52.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.578 -0.701 . . . . 0.0 110.195 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.49 HD22 ' HE3' ' A' ' 34' ' ' LYS . 55.5 t-20 -100.34 112.12 24.44 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.044 -1.035 . . . . 0.0 108.951 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.581 ' HA ' HD12 ' A' ' 35' ' ' LEU . 55.6 t0 -55.89 -34.13 65.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.312 -0.867 . . . . 0.0 109.491 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -65.89 -25.39 67.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.458 -0.776 . . . . 0.0 109.766 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HE3' HD22 ' A' ' 31' ' ' ASN . 26.3 mttt -109.9 -0.74 18.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.277 -0.889 . . . . 0.0 109.929 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.7 mt -56.69 -45.99 81.46 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.109 -0.994 . . . . 0.0 109.366 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.0 tt -65.16 -39.49 93.02 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.046 -1.034 . . . . 0.0 108.495 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.99 -39.84 91.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.342 -0.849 . . . . 0.0 109.291 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.55 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.3 mmt -70.43 -45.43 65.89 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.977 -1.077 . . . . 0.0 109.422 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.52 -25.59 42.69 Favored Glycine 0 N--CA 1.484 1.875 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 21.6 t80 -94.65 -53.6 3.82 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.579 -0.954 . . . . 0.0 110.318 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.536 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 63.9 m-85 -80.33 -47.21 14.84 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.0 -1.062 . . . . 0.0 111.25 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 m -134.18 71.05 73.34 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 120.837 -1.165 . . . . 0.0 111.204 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.32 -35.15 24.98 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.448 2.099 . . . . 0.0 111.946 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -77.83 -43.98 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.191 -0.943 . . . . 0.0 109.835 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.814 HG22 HD12 ' A' ' 24' ' ' LEU . 65.5 m -59.92 -37.79 80.47 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.392 -0.818 . . . . 0.0 110.897 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 97.3 m -86.57 0.05 55.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.893 -1.129 . . . . 0.0 110.621 -178.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.97 35.72 38.2 Favored Glycine 0 N--CA 1.495 2.59 0 C-N-CA 119.852 -1.166 . . . . 0.0 111.748 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 12.2 m-30 -108.12 -12.83 15.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.953 -1.322 . . . . 0.0 108.322 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.299 -1.611 0 O-C-N 121.397 -0.814 . . . . 0.0 109.497 179.496 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 121.258 0.551 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.482 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.5 m-20 -70.74 140.02 51.25 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.22 -0.925 . . . . 0.0 109.293 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.61 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -61.33 139.14 58.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.266 -0.896 . . . . 0.0 109.446 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.717 ' HZ3' ' ND2' ' A' ' 17' ' ' ASN . 18.2 pttm -84.52 -25.62 28.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -0.827 . . . . 0.0 110.056 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.717 ' ND2' ' HZ3' ' A' ' 16' ' ' LYS . 79.5 m-20 -91.37 1.01 57.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 110.052 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -113.79 131.26 56.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.192 -0.943 . . . . 0.0 109.568 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -79.88 85.74 5.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.164 -0.96 . . . . 0.0 108.845 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.7 m -70.12 -34.62 73.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.429 -0.795 . . . . 0.0 109.757 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.432 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.18 -42.9 87.08 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.569 ' HG3' HD21 ' A' ' 26' ' ' ASN . 15.0 ttt-85 -68.17 -47.22 68.58 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.499 -0.751 . . . . 0.0 109.424 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 78.5 p -67.39 -34.79 78.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.449 -0.782 . . . . 0.0 108.973 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.649 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.1 tp -66.39 -48.7 69.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.29 -0.881 . . . . 0.0 110.384 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 35.0 ptt180 -69.53 -23.17 63.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.258 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.569 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.0 m-20 -79.83 -1.37 38.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.481 -0.762 . . . . 0.0 109.39 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.52 23.43 58.37 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.855 -1.698 . . . . 0.0 108.855 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 23' ' ' SER . 16.4 t0 -60.96 -38.65 86.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.415 -1.05 . . . . 0.0 109.578 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.649 ' SG ' HD12 ' A' ' 24' ' ' LEU . 22.8 m -67.32 -18.72 65.29 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.213 -0.929 . . . . 0.0 108.599 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -96.79 1.6 50.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.573 -0.704 . . . . 0.0 110.033 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.414 HD22 ' HE3' ' A' ' 34' ' ' LYS . 55.8 t-20 -101.94 115.06 29.73 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.084 -1.01 . . . . 0.0 109.84 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.595 ' HA ' HD12 ' A' ' 35' ' ' LEU . 91.1 m-20 -56.31 -34.03 66.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.462 -0.774 . . . . 0.0 109.092 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -67.48 -24.05 65.55 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.644 -0.66 . . . . 0.0 109.781 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HE3' HD22 ' A' ' 31' ' ' ASN . 36.8 mttt -112.3 -0.4 15.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.182 -0.949 . . . . 0.0 109.908 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.7 mt -56.0 -44.29 78.51 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.086 -1.009 . . . . 0.0 109.26 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.7 -38.76 90.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.405 -0.809 . . . . 0.0 109.155 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -61.25 -39.73 91.43 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.475 -0.766 . . . . 0.0 109.189 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.55 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -71.41 -47.01 58.72 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.525 -0.734 . . . . 0.0 109.741 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.29 -28.55 50.44 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 108.341 -1.904 . . . . 0.0 108.341 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -94.93 -56.12 2.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.796 -0.826 . . . . 0.0 110.834 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.556 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 68.2 m-85 -76.23 -43.95 39.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 110.784 -178.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.457 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.3 m -140.45 72.76 30.98 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 120.685 -1.259 . . . . 0.0 110.974 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -66.9 -33.54 32.86 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 122.381 2.054 . . . . 0.0 111.406 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' HB ' ' OD1' ' A' ' 14' ' ' ASP . 94.3 t -80.25 -43.12 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.472 -0.767 . . . . 0.0 109.5 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.482 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 54.1 m -58.01 -38.82 76.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.263 -0.898 . . . . 0.0 110.605 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.4 m -86.83 -8.77 57.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.053 -1.029 . . . . 0.0 110.658 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.3 34.79 13.36 Favored Glycine 0 N--CA 1.493 2.453 0 C-N-CA 119.77 -1.205 . . . . 0.0 112.313 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 34.0 m-85 -102.97 -14.85 16.32 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.558 -1.554 . . . . 0.0 107.562 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.301 -1.524 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.535 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 121.297 0.57 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.489 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 87.0 m-20 -69.18 138.72 54.34 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 109.184 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.591 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -62.19 138.49 58.42 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.233 -0.917 . . . . 0.0 109.472 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HE2' HD21 ' A' ' 17' ' ' ASN . 3.3 pttm -82.41 -29.22 30.91 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.211 -0.93 . . . . 0.0 109.623 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.436 HD21 ' HE2' ' A' ' 16' ' ' LYS . 79.2 m-20 -86.47 -1.71 57.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.337 -0.852 . . . . 0.0 109.613 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -113.54 129.86 56.47 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.269 -0.894 . . . . 0.0 109.932 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -80.41 85.02 5.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 0.0 109.083 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.8 m -67.6 -35.8 79.67 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.646 0.736 . . . . 0.0 109.266 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.727 ' NH1' ' NH1' ' A' ' 25' ' ' ARG . 1.2 tmt_? -57.04 -42.19 80.04 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HG3' HD21 ' A' ' 26' ' ' ASN . 11.5 ttt180 -69.4 -47.18 64.99 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.493 -0.754 . . . . 0.0 109.646 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 79.4 p -66.45 -34.57 78.24 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.176 -0.952 . . . . 0.0 109.444 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD12 ' SG ' ' A' ' 29' ' ' CYS . 38.3 tp -67.63 -48.09 67.72 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.172 -0.955 . . . . 0.0 110.49 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.727 ' NH1' ' NH1' ' A' ' 21' ' ' ARG . 41.2 ptt180 -68.47 -22.79 64.55 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 108.992 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.489 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.2 m-20 -80.8 -0.67 39.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.437 -0.789 . . . . 0.0 109.286 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.02 23.4 63.78 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 23' ' ' SER . 13.8 t0 -60.06 -40.14 88.44 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.367 -1.078 . . . . 0.0 109.58 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.539 ' SG ' HD12 ' A' ' 24' ' ' LEU . 28.8 m -64.46 -19.96 65.88 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -95.98 -3.51 44.91 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.385 -0.822 . . . . 0.0 110.063 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -94.66 116.12 28.37 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.983 -1.073 . . . . 0.0 109.354 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.627 ' HA ' HD12 ' A' ' 35' ' ' LEU . 90.1 m-20 -57.57 -33.69 68.42 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.327 -0.858 . . . . 0.0 109.119 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.94 -27.19 67.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.478 -0.764 . . . . 0.0 109.957 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -107.63 -0.82 21.69 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.227 -0.921 . . . . 0.0 109.48 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 32' ' ' ASP . 10.3 mt -53.84 -47.98 70.41 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.482 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -65.17 -38.55 90.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.219 -0.926 . . . . 0.0 109.176 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -58.87 -40.5 84.53 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.365 -0.834 . . . . 0.0 109.483 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.588 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.1 mmt -70.28 -47.05 62.99 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.37 -0.831 . . . . 0.0 110.057 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.51 -28.25 50.59 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 40.7 t80 -94.75 -55.49 3.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.642 -0.917 . . . . 0.0 110.576 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.591 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 61.4 m-85 -76.03 -44.28 40.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.326 -0.859 . . . . 0.0 111.337 -178.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.6 m -139.89 69.73 36.23 Favored Pre-proline 0 C--N 1.3 -1.559 0 O-C-N 120.682 -1.261 . . . . 0.0 111.084 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.24 -33.09 61.22 Favored 'Trans proline' 0 C--N 1.301 -1.937 0 C-N-CA 122.465 2.11 . . . . 0.0 111.958 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.8 t -81.01 -42.61 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.142 -0.974 . . . . 0.0 109.973 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.489 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 62.4 m -59.51 -37.71 79.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.245 -0.909 . . . . 0.0 110.791 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.9 m -86.06 -9.76 56.17 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.878 -1.139 . . . . 0.0 110.74 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.09 35.0 10.09 Favored Glycine 0 N--CA 1.492 2.401 0 C-N-CA 119.638 -1.268 . . . . 0.0 111.891 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.494 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 46.0 m-85 -102.89 -16.19 15.96 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.668 -1.489 . . . . 0.0 107.527 178.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.302 -1.465 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.477 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 121.205 0.526 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.572 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.6 p30 -72.54 137.44 46.25 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.277 -0.889 . . . . 0.0 108.629 178.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.59 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -61.51 140.63 58.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.21 -0.931 . . . . 0.0 109.868 -179.05 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -87.76 -29.07 21.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.324 -0.86 . . . . 0.0 109.492 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -82.87 -4.93 58.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -110.94 133.75 53.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.832 . . . . 0.0 108.938 179.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -79.5 84.8 5.33 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.029 -1.045 . . . . 0.0 108.502 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -70.82 -36.15 72.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.373 -0.829 . . . . 0.0 109.292 -179.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.24 -46.21 90.55 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.435 -0.791 . . . . 0.0 108.97 179.758 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.753 ' HE ' HH21 ' A' ' 25' ' ' ARG . 11.5 ttm180 -69.69 -45.93 67.19 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.056 -1.028 . . . . 0.0 109.497 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -61.9 -36.09 80.28 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.33 -0.857 . . . . 0.0 109.277 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.619 HD12 ' SG ' ' A' ' 29' ' ' CYS . 35.9 tp -64.4 -50.35 67.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 0.0 110.408 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.753 HH21 ' HE ' ' A' ' 22' ' ' ARG . 27.1 ptt180 -67.32 -21.14 65.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.142 -0.974 . . . . 0.0 109.167 -179.597 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.556 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.7 m-20 -79.01 -2.7 41.49 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.508 -0.745 . . . . 0.0 109.295 179.498 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.7 21.09 62.36 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.4 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 14.8 t0 -59.77 -40.4 88.09 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.225 -1.162 . . . . 0.0 109.796 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.619 ' SG ' HD12 ' A' ' 24' ' ' LEU . 28.8 m -66.39 -21.49 66.23 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.08 -1.013 . . . . 0.0 108.563 179.397 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.7 -0.51 54.27 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.352 -0.843 . . . . 0.0 109.846 -179.768 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -97.43 113.56 25.26 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.978 -1.076 . . . . 0.0 108.726 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.6 ' HA ' HD12 ' A' ' 35' ' ' LEU . 76.1 m-20 -57.4 -34.15 68.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.269 -0.894 . . . . 0.0 109.173 -179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -66.72 -25.36 66.49 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.386 -0.821 . . . . 0.0 109.763 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 62.5 mttt -109.1 0.28 19.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.052 -1.03 . . . . 0.0 109.592 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.1 mt -57.01 -45.14 83.25 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.136 -0.978 . . . . 0.0 109.346 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.36 -39.38 92.26 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 0.0 108.811 178.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -59.67 -39.59 84.97 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.322 -0.861 . . . . 0.0 109.18 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.589 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -70.71 -45.27 65.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.475 -0.766 . . . . 0.0 110.106 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.77 -28.66 60.59 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 179.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -93.81 -54.25 3.69 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.889 -0.771 . . . . 0.0 110.471 -179.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.59 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 63.9 m-85 -77.53 -48.86 15.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.128 -0.982 . . . . 0.0 110.957 -179.1 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.4 m -136.32 73.52 56.74 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 120.69 -1.256 . . . . 0.0 111.107 -178.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.1 -35.85 23.85 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.575 2.183 . . . . 0.0 111.647 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.18 -42.85 37.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.47 0.652 . . . . 0.0 109.495 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.1 m -59.39 -39.27 82.85 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.324 -0.86 . . . . 0.0 110.601 -179.269 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 75.6 m -86.9 -1.27 57.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.217 -0.927 . . . . 0.0 110.482 -178.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.15 36.13 36.17 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.906 178.671 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.1 m-30 -105.14 -12.61 16.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.976 -1.309 . . . . 0.0 108.027 178.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.298 -1.662 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.321 179.544 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.56 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.8 p30 -74.11 151.95 40.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.267 -0.896 . . . . 0.0 108.809 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.3 132.2 46.06 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.018 -1.051 . . . . 0.0 110.018 -179.484 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' NZ ' HD21 ' A' ' 17' ' ' ASN . 25.9 pttm -79.85 -23.81 41.72 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.261 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.478 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 79.5 m-20 -90.41 -9.9 45.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.59 -0.694 . . . . 0.0 110.058 -179.398 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -108.6 129.97 55.31 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 179.269 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -76.48 84.97 3.2 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.137 -0.977 . . . . 0.0 109.452 -179.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.4 m -67.86 -34.46 76.74 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.35 -45.25 88.53 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.391 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.497 ' HG3' HD21 ' A' ' 26' ' ' ASN . 15.1 ttt-85 -66.31 -46.06 78.22 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.407 -0.808 . . . . 0.0 109.697 179.432 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.3 p -68.22 -34.1 75.63 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.186 -0.946 . . . . 0.0 109.532 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.644 HD12 ' SG ' ' A' ' 29' ' ' CYS . 27.7 tp -66.09 -49.7 66.66 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.2 -0.937 . . . . 0.0 110.536 -179.559 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 23.0 ptt180 -67.09 -20.74 65.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.111 -0.993 . . . . 0.0 109.287 -179.444 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.497 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.3 m-20 -82.27 -2.3 52.17 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.537 -0.727 . . . . 0.0 109.337 179.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.48 21.49 62.08 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.422 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.0 t0 -57.73 -39.63 77.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.294 -1.121 . . . . 0.0 109.384 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 24' ' ' LEU . 33.6 m -64.47 -21.58 66.71 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.23 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -96.86 -1.13 46.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.657 -0.652 . . . . 0.0 110.098 -179.441 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.439 HD22 ' HE2' ' A' ' 34' ' ' LYS . 57.0 t-20 -95.84 114.1 25.79 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.094 -1.004 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.606 ' HA ' HD12 ' A' ' 35' ' ' LEU . 93.2 m-20 -56.64 -34.3 67.17 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.192 -0.942 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.476 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 66.5 t0 -67.22 -22.4 65.71 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.44 -0.788 . . . . 0.0 110.01 -179.555 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HE2' HD22 ' A' ' 31' ' ' ASN . 13.2 mttm -112.96 -1.05 14.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.151 -0.968 . . . . 0.0 109.816 -179.286 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.2 mt -54.09 -45.83 71.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.079 -1.013 . . . . 0.0 109.433 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.05 -37.22 83.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.255 -0.903 . . . . 0.0 109.324 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.19 -39.45 92.78 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.192 -0.943 . . . . 0.0 109.28 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.537 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.99 -48.81 51.17 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.44 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.61 -28.03 44.24 Favored Glycine 0 N--CA 1.482 1.76 0 N-CA-C 108.391 -1.884 . . . . 0.0 108.391 179.475 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -94.51 -56.04 2.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.62 -0.929 . . . . 0.0 110.399 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -77.67 -45.21 25.61 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.099 -1.001 . . . . 0.0 110.917 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.466 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.1 m -134.56 71.14 71.61 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 120.854 -1.154 . . . . 0.0 111.442 -178.681 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.08 -33.29 32.22 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.378 2.052 . . . . 0.0 111.435 178.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.33 -45.48 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.374 -0.829 . . . . 0.0 110.101 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.0 m -57.84 -38.71 76.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.232 -0.918 . . . . 0.0 110.457 -179.005 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 65.1 m -86.04 -11.53 52.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.942 -1.098 . . . . 0.0 110.469 -179.085 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.71 35.97 10.98 Favored Glycine 0 N--CA 1.494 2.524 0 C-N-CA 119.807 -1.187 . . . . 0.0 112.098 178.198 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 46' ' ' CYS . 47.7 m-85 -102.31 -14.93 16.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.626 -1.514 . . . . 0.0 107.696 177.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.299 -1.592 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.75 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 121.234 0.54 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.493 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 78.5 m-20 -72.51 138.44 46.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.129 -0.982 . . . . 0.0 109.06 179.514 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.553 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -57.2 139.54 52.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.938 . . . . 0.0 109.318 -179.85 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -85.71 -25.61 26.39 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.446 -0.784 . . . . 0.0 109.619 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -88.95 -2.74 58.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.298 -0.876 . . . . 0.0 109.614 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -113.09 129.03 56.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -0.886 . . . . 0.0 109.403 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 25.7 p30 -77.96 84.95 4.22 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.229 -0.919 . . . . 0.0 109.056 179.361 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.498 ' HB3' HG21 ' A' ' 45' ' ' THR . 22.7 m -68.0 -33.57 74.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.294 -0.879 . . . . 0.0 109.47 -179.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.92 -43.68 91.17 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.394 -0.816 . . . . 0.0 108.863 -179.84 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.69 ' CZ ' HH21 ' A' ' 25' ' ' ARG . 14.6 ttm-85 -68.78 -47.48 66.06 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.367 -0.833 . . . . 0.0 109.417 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.6 p -64.85 -36.03 83.04 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.381 -0.824 . . . . 0.0 109.211 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.596 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.5 tp -63.9 -50.48 68.55 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 110.238 -179.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.69 HH21 ' CZ ' ' A' ' 22' ' ' ARG . 47.1 ptt85 -67.63 -21.94 65.36 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.061 -1.024 . . . . 0.0 109.074 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.549 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.3 m-20 -79.86 -2.57 44.13 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.456 -0.778 . . . . 0.0 109.265 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.09 21.16 61.47 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.5 t0 -58.69 -38.92 79.28 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.166 -1.196 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.596 ' SG ' HD12 ' A' ' 24' ' ' LEU . 48.6 m -66.35 -18.24 65.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.147 -0.971 . . . . 0.0 108.774 179.311 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -98.92 -1.39 40.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.372 -0.83 . . . . 0.0 110.019 -179.612 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.51 HD22 ' HE3' ' A' ' 34' ' ' LYS . 53.2 t-20 -96.9 113.84 25.42 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.231 -0.918 . . . . 0.0 109.133 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.588 ' HA ' HD12 ' A' ' 35' ' ' LEU . 72.3 m-20 -56.41 -33.56 65.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.216 -0.928 . . . . 0.0 109.6 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -66.99 -24.59 66.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.24 -0.913 . . . . 0.0 110.125 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HE3' HD22 ' A' ' 31' ' ' ASN . 42.0 mttt -109.07 -5.57 15.97 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.138 -0.976 . . . . 0.0 109.779 -178.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.8 mt -52.37 -46.35 66.14 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.278 -0.889 . . . . 0.0 109.199 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -66.66 -40.25 88.54 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.289 -0.882 . . . . 0.0 109.256 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.75 -38.33 84.8 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.336 -0.852 . . . . 0.0 109.285 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.544 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.4 mmt -70.87 -46.32 62.85 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.297 -0.877 . . . . 0.0 109.834 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.87 -23.39 45.18 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 107.567 -2.213 . . . . 0.0 107.567 179.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 34.1 t80 -95.06 -57.22 2.49 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.935 -0.744 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.553 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 65.8 m-85 -78.67 -45.01 22.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.298 -0.876 . . . . 0.0 111.281 -178.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.3 m -136.82 74.33 51.68 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 120.72 -1.238 . . . . 0.0 110.845 -178.765 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.15 -35.07 20.5 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.394 2.063 . . . . 0.0 111.54 179.299 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.429 ' HB ' ' OD1' ' A' ' 14' ' ' ASP . 87.2 t -78.47 -43.98 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 109.122 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 20' ' ' CYS . 52.9 m -54.81 -40.95 70.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.335 -0.853 . . . . 0.0 110.309 -179.544 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.544 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.2 m -87.03 -1.86 58.2 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.121 -0.987 . . . . 0.0 110.564 -178.894 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.4 34.78 39.32 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.042 178.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.5 m-30 -103.73 -10.5 18.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.936 -1.332 . . . . 0.0 107.943 178.54 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.3 -1.575 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.261 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.586 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.2 p30 -76.09 141.91 41.87 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.149 -0.97 . . . . 0.0 108.903 179.363 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -64.0 137.75 58.14 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.231 -0.918 . . . . 0.0 109.897 -179.23 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -84.15 -30.72 25.64 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.397 -0.815 . . . . 0.0 109.665 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -83.19 -5.26 59.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 0.0 109.918 -179.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -112.2 131.96 55.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.447 -0.783 . . . . 0.0 109.122 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -80.96 87.93 5.95 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.347 -0.846 . . . . 0.0 109.433 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.8 m -70.29 -37.93 74.93 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.207 -0.933 . . . . 0.0 109.621 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -55.22 -42.36 73.25 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.73 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.665 HH11 ' NH2' ' A' ' 25' ' ' ARG . 13.1 ttt85 -69.67 -47.71 62.34 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.546 -0.721 . . . . 0.0 109.562 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 82.9 p -65.89 -34.02 77.18 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.413 -0.804 . . . . 0.0 109.367 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.673 HD12 ' SG ' ' A' ' 29' ' ' CYS . 22.0 tp -66.99 -50.42 62.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.344 -0.847 . . . . 0.0 110.246 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.665 ' NH2' HH11 ' A' ' 22' ' ' ARG . 34.3 ptt85 -66.33 -24.64 66.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.131 -0.981 . . . . 0.0 108.994 -179.731 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.536 HD21 ' NH1' ' A' ' 22' ' ' ARG . 97.2 m-20 -78.59 -2.79 40.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.434 -0.791 . . . . 0.0 109.829 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.61 21.4 60.02 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 23' ' ' SER . 17.5 t0 -60.16 -39.91 88.05 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.341 -1.094 . . . . 0.0 109.618 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.673 ' SG ' HD12 ' A' ' 24' ' ' LEU . 38.6 m -65.22 -19.63 66.06 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.139 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -97.95 -2.89 39.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.462 -0.774 . . . . 0.0 110.226 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -95.07 115.55 27.57 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.169 -0.957 . . . . 0.0 108.853 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.565 ' HA ' HD12 ' A' ' 35' ' ' LEU . 83.7 m-20 -58.37 -31.71 67.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.836 . . . . 0.0 109.543 -179.657 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.3 -22.64 62.81 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.461 -0.774 . . . . 0.0 110.365 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 24.4 mttt -110.66 1.05 17.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.078 -1.014 . . . . 0.0 109.634 -179.571 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.1 mt -58.57 -42.7 88.57 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.262 -0.899 . . . . 0.0 109.085 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.2 -40.62 94.42 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.26 -0.9 . . . . 0.0 108.777 179.121 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.16 -41.32 96.56 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.513 -0.742 . . . . 0.0 109.077 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.585 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -67.78 -47.34 69.43 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.341 -0.849 . . . . 0.0 110.177 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.66 -27.1 60.96 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.604 -1.799 . . . . 0.0 108.604 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 34.1 t80 -94.74 -53.1 3.99 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.87 -0.782 . . . . 0.0 110.177 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.581 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 67.5 m-85 -79.34 -46.46 17.63 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.396 -0.815 . . . . 0.0 110.931 -179.104 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -137.96 72.1 47.95 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 120.669 -1.269 . . . . 0.0 111.335 -178.784 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.73 -34.2 41.53 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.346 2.031 . . . . 0.0 111.291 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.3 t -78.37 -43.11 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.434 -0.791 . . . . 0.0 109.93 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.7 m -59.19 -39.62 83.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.505 -0.747 . . . . 0.0 110.723 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.585 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 68.5 m -86.88 -4.43 59.18 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.071 -1.018 . . . . 0.0 110.485 -178.61 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.93 34.88 29.34 Favored Glycine 0 N--CA 1.49 2.265 0 C-N-CA 119.701 -1.238 . . . . 0.0 111.089 178.477 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -104.39 -9.73 18.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.811 -1.405 . . . . 0.0 107.937 178.487 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.301 -1.53 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.481 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.791 0 CA-C-O 121.367 0.603 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.501 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 86.2 m-20 -70.86 135.6 48.15 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.116 -0.99 . . . . 0.0 109.398 179.21 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.659 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -59.49 139.45 57.11 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.208 -0.932 . . . . 0.0 109.634 -179.761 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -88.13 -25.18 23.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.378 -0.826 . . . . 0.0 110.279 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -86.85 -4.93 59.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.98 -1.075 . . . . 0.0 109.405 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -114.74 130.27 56.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.461 -0.775 . . . . 0.0 109.442 179.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -77.39 85.82 3.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.265 -0.897 . . . . 0.0 109.639 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.1 m -67.23 -35.14 78.96 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 109.2 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.49 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -57.68 -41.14 81.01 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.555 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.535 ' HG3' HD21 ' A' ' 26' ' ' ASN . 12.8 ttm-85 -70.74 -47.56 59.04 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.348 -0.845 . . . . 0.0 109.609 179.384 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.7 p -66.15 -34.86 79.01 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.264 -0.897 . . . . 0.0 109.539 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.593 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.2 tp -64.94 -47.93 75.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.226 -0.921 . . . . 0.0 110.295 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 23.8 ptt180 -69.8 -22.9 63.28 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.22 -0.925 . . . . 0.0 109.22 -179.625 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.535 HD21 ' HG3' ' A' ' 22' ' ' ARG . 95.8 m-20 -78.5 -2.17 37.36 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.535 -0.728 . . . . 0.0 109.078 179.557 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.54 21.33 62.24 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 10.8 t0 -59.32 -39.92 84.63 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.363 -1.081 . . . . 0.0 109.886 -179.617 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.593 ' SG ' HD12 ' A' ' 24' ' ' LEU . 35.4 m -65.64 -20.58 66.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.115 -0.991 . . . . 0.0 108.438 179.423 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -94.17 1.11 56.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.574 -0.704 . . . . 0.0 110.16 -179.306 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.426 HD22 ' HE3' ' A' ' 34' ' ' LYS . 49.3 t-20 -102.81 115.53 30.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.039 -1.038 . . . . 0.0 109.37 -179.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.575 ' HA ' HD12 ' A' ' 35' ' ' LEU . 52.5 t0 -57.02 -34.84 68.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.211 -0.931 . . . . 0.0 109.316 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -66.25 -23.18 66.37 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.627 -0.671 . . . . 0.0 109.994 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 26.4 mttt -110.99 -2.28 16.01 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.96 . . . . 0.0 109.387 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.9 mt -56.99 -44.78 83.06 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.119 179.585 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.75 -39.05 90.68 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.172 -0.955 . . . . 0.0 108.65 178.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -61.08 -40.8 95.05 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.425 -0.797 . . . . 0.0 108.887 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.573 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.2 mmt -70.94 -45.78 63.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.25 -0.906 . . . . 0.0 110.102 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.4 -27.89 48.97 Favored Glycine 0 N--CA 1.485 1.96 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 179.332 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.488 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 17.2 t80 -95.38 -54.14 3.51 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.749 -0.853 . . . . 0.0 110.362 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.659 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 68.5 m-85 -77.96 -44.61 26.29 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.245 -0.909 . . . . 0.0 111.179 -178.699 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -140.55 72.27 30.74 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 120.621 -1.299 . . . . 0.0 111.08 -179.307 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.15 -33.56 30.89 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.465 2.11 . . . . 0.0 111.718 179.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.7 t -79.35 -42.92 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 109.571 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.501 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 55.2 m -58.11 -38.22 76.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.385 -0.822 . . . . 0.0 110.635 -179.726 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.573 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.2 m -86.42 -6.02 59.02 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.085 -1.009 . . . . 0.0 110.679 -178.617 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.26 35.18 24.29 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 119.607 -1.283 . . . . 0.0 110.841 178.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.1 m-30 -105.57 -14.29 15.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.042 -1.269 . . . . 0.0 108.051 178.769 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.298 -1.659 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.744 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.184 0.516 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.57 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.3 p30 -72.85 140.63 47.73 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.488 -0.757 . . . . 0.0 109.221 179.296 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.627 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -66.38 141.11 58.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.136 -0.978 . . . . 0.0 109.446 -179.702 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -89.32 -23.35 22.28 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.355 -0.841 . . . . 0.0 109.928 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -85.24 -7.53 58.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.108 -0.995 . . . . 0.0 109.413 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -111.35 136.52 50.35 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.547 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -81.2 85.13 6.41 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.211 -0.93 . . . . 0.0 108.655 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.487 ' HB3' HG21 ' A' ' 45' ' ' THR . 22.3 m -68.74 -34.82 76.24 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.349 -0.844 . . . . 0.0 109.408 -179.376 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -61.57 -46.67 88.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.503 -0.748 . . . . 0.0 109.028 179.729 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.557 ' HG3' HD21 ' A' ' 26' ' ' ASN . 13.2 ttt-85 -68.87 -44.5 73.17 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.301 -0.874 . . . . 0.0 108.951 179.495 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -64.73 -36.92 85.85 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.398 -0.814 . . . . 0.0 109.396 179.453 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.603 HD12 ' SG ' ' A' ' 29' ' ' CYS . 30.4 tp -64.38 -50.94 65.71 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.275 -0.89 . . . . 0.0 110.5 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 37.7 ptt180 -66.79 -22.97 66.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.937 -1.102 . . . . 0.0 108.971 -179.785 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.557 HD21 ' HG3' ' A' ' 22' ' ' ARG . 98.1 m-20 -77.59 -2.76 37.39 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.285 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.82 21.57 65.74 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.429 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.9 t0 -57.21 -39.3 75.15 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.246 -1.15 . . . . 0.0 109.43 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.603 ' SG ' HD12 ' A' ' 24' ' ' LEU . 32.4 m -66.95 -20.32 65.87 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.511 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -93.68 1.46 56.58 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.44 -0.787 . . . . 0.0 110.084 -179.186 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.534 HD22 ' HE3' ' A' ' 34' ' ' LYS . 40.2 t-20 -102.98 117.24 34.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -0.936 . . . . 0.0 109.369 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.668 ' HA ' HD12 ' A' ' 35' ' ' LEU . 56.7 t0 -59.2 -32.43 69.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.955 . . . . 0.0 109.187 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -66.34 -24.81 66.58 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.555 -0.716 . . . . 0.0 109.417 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.534 ' HE3' HD22 ' A' ' 31' ' ' ASN . 75.0 mttt -111.51 -1.26 15.91 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.326 -0.859 . . . . 0.0 109.734 -179.558 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.8 mt -57.67 -48.67 78.87 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.386 -0.925 . . . . 0.0 109.771 -179.7 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.16 -38.42 90.52 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.209 -0.932 . . . . 0.0 108.615 179.239 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.36 -39.3 86.7 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.525 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 36.1 mmt -69.41 -46.64 66.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.352 -0.842 . . . . 0.0 109.88 179.504 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.75 -27.16 55.2 Favored Glycine 0 N--CA 1.487 2.076 0 N-CA-C 108.501 -1.839 . . . . 0.0 108.501 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.438 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 30.2 t80 -93.38 -51.9 4.76 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.715 -0.874 . . . . 0.0 110.35 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.584 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 46.1 m-85 -79.56 -50.26 10.98 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.138 -0.976 . . . . 0.0 111.039 -178.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 m -135.55 74.86 58.74 Favored Pre-proline 0 C--N 1.302 -1.47 0 O-C-N 120.727 -1.233 . . . . 0.0 110.767 -179.02 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.57 -34.84 31.65 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.331 2.02 . . . . 0.0 111.279 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.5 t -78.21 -44.29 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.506 -0.746 . . . . 0.0 109.186 179.64 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.487 HG21 ' HB3' ' A' ' 20' ' ' CYS . 45.5 m -55.07 -40.16 70.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.475 -0.766 . . . . 0.0 110.683 -179.44 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 63.9 m -86.39 -3.18 58.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.141 -0.974 . . . . 0.0 110.787 -178.68 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.47 34.97 34.27 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 119.691 -1.242 . . . . 0.0 110.813 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 18.0 m-30 -103.57 -14.85 16.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.937 -1.331 . . . . 0.0 107.904 178.573 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.301 -1.523 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.353 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.228 0.537 . . . . 0.0 109.715 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.453 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 82.6 m-20 -71.08 135.06 47.52 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.157 -0.965 . . . . 0.0 108.607 179.075 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.603 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -57.45 137.99 55.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.124 -0.985 . . . . 0.0 109.451 -179.464 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -81.53 -30.59 33.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.388 -0.82 . . . . 0.0 109.872 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -86.97 0.35 55.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.936 . . . . 0.0 109.878 -179.474 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -112.09 133.91 53.95 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.148 -0.97 . . . . 0.0 109.227 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -80.6 84.39 6.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.967 -1.083 . . . . 0.0 108.229 179.612 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.3 m -70.24 -35.03 73.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.459 -0.776 . . . . 0.0 109.256 -179.311 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 1.1 tmt_? -61.16 -46.72 89.35 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.373 -0.829 . . . . 0.0 108.879 179.859 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.592 ' HG3' HD21 ' A' ' 26' ' ' ASN . 7.9 ttt180 -67.76 -47.15 70.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.285 -0.885 . . . . 0.0 109.479 179.404 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -61.89 -36.25 80.73 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.401 -0.812 . . . . 0.0 109.498 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' SG ' ' A' ' 29' ' ' CYS . 27.7 tp -63.52 -48.91 75.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.098 -1.001 . . . . 0.0 110.002 -179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 14.9 ptm180 -68.39 -25.02 64.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.135 -0.978 . . . . 0.0 109.287 -179.81 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.592 HD21 ' HG3' ' A' ' 22' ' ' ARG . 95.7 m-20 -74.6 -2.54 26.47 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.421 -0.8 . . . . 0.0 109.366 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 21.81 64.07 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.692 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.401 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 11.9 t0 -59.87 -42.17 93.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.235 -1.156 . . . . 0.0 109.688 -179.866 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' HD12 ' A' ' 24' ' ' LEU . 37.9 m -64.98 -18.31 65.17 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.312 -0.867 . . . . 0.0 108.837 179.767 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -96.78 1.36 50.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 110.209 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.532 HD22 ' HE3' ' A' ' 34' ' ' LYS . 51.6 t-20 -100.81 115.51 30.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.152 -0.968 . . . . 0.0 109.576 -179.555 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.647 ' HA ' HD12 ' A' ' 35' ' ' LEU . 65.4 t0 -57.02 -33.82 67.57 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.324 -0.86 . . . . 0.0 109.308 179.845 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 63.8 t0 -68.07 -24.81 65.1 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.554 -0.716 . . . . 0.0 110.285 -179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.532 ' HE3' HD22 ' A' ' 31' ' ' ASN . 52.2 mttt -109.81 -2.08 17.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.092 -1.005 . . . . 0.0 109.436 -179.402 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.9 mt -55.54 -47.54 76.18 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.063 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.24 -40.41 95.95 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.217 -0.927 . . . . 0.0 108.686 178.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -58.02 -41.63 83.56 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.279 -0.888 . . . . 0.0 108.836 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.629 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -68.24 -47.42 67.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.383 -0.823 . . . . 0.0 110.21 -179.624 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.62 -27.79 55.38 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 179.618 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 36.1 t80 -94.38 -51.49 4.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.65 -0.912 . . . . 0.0 110.198 -179.647 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.573 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 64.2 m-85 -80.37 -46.56 15.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.449 -0.782 . . . . 0.0 110.966 -178.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.9 m -139.2 72.3 39.1 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 120.663 -1.273 . . . . 0.0 110.931 -179.283 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -66.04 -33.44 41.34 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.671 2.248 . . . . 0.0 111.558 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -78.7 -42.04 24.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.344 -0.847 . . . . 0.0 109.26 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.453 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 48.0 m -58.36 -39.17 78.82 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.57 -0.706 . . . . 0.0 110.757 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 69.3 m -87.1 -2.84 58.93 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.168 -0.957 . . . . 0.0 110.529 -178.314 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.16 37.08 29.51 Favored Glycine 0 N--CA 1.491 2.303 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.816 178.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.5 m-30 -106.68 -12.91 15.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.981 -1.305 . . . . 0.0 108.094 178.822 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.299 -1.618 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.438 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.192 0.52 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -72.81 133.18 44.36 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.315 -0.866 . . . . 0.0 109.189 179.329 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.55 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -60.02 141.61 55.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 0.0 109.482 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.601 ' NZ ' HD21 ' A' ' 17' ' ' ASN . 17.8 pttm -88.02 -23.44 23.79 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.46 -0.775 . . . . 0.0 109.854 -179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.601 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 72.0 m-80 -86.74 -6.46 58.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.042 -1.036 . . . . 0.0 109.634 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -115.15 134.32 55.26 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.274 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -82.48 106.12 14.09 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.815 -1.178 . . . . 0.0 108.984 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.4 m -80.15 -39.87 28.49 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.505 -0.747 . . . . 0.0 109.732 -179.595 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -43.69 94.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.286 -0.884 . . . . 0.0 109.207 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.515 ' HG3' HD21 ' A' ' 26' ' ' ASN . 9.4 ttp180 -67.55 -47.55 69.53 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.266 -0.896 . . . . 0.0 109.55 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 m -65.07 -37.11 86.48 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.438 -0.789 . . . . 0.0 109.079 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.553 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.1 tp -64.76 -48.4 74.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.317 -0.865 . . . . 0.0 110.537 -179.837 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 24.9 ptt180 -67.92 -22.3 65.07 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.942 -1.099 . . . . 0.0 108.906 -179.741 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.515 HD21 ' HG3' ' A' ' 22' ' ' ARG . 95.7 m-20 -81.16 -1.13 43.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.52 -0.738 . . . . 0.0 109.442 179.394 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 22.27 63.61 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.439 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 21.8 t0 -59.16 -40.53 85.87 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.22 -1.165 . . . . 0.0 109.451 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.553 ' SG ' HD12 ' A' ' 24' ' ' LEU . 29.9 m -64.44 -19.63 65.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.066 -1.021 . . . . 0.0 108.49 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -96.88 -1.11 46.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.448 -0.783 . . . . 0.0 110.052 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.417 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 47.5 t-20 -98.22 114.0 26.11 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.971 -1.081 . . . . 0.0 109.39 -179.595 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.571 ' HA ' HD12 ' A' ' 35' ' ' LEU . 75.2 m-20 -56.94 -33.73 67.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.358 -0.839 . . . . 0.0 109.022 -179.909 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -67.38 -23.7 65.61 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.701 -0.625 . . . . 0.0 110.05 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HB2' ' OD1' ' A' ' 28' ' ' ASP . 28.3 mttt -112.46 -0.54 15.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.116 -0.99 . . . . 0.0 109.971 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.9 mt -55.66 -46.25 77.54 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 108.76 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.05 -37.35 87.28 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.25 -41.22 96.54 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.157 -0.965 . . . . 0.0 108.936 179.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.598 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.08 -45.84 66.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.302 -0.874 . . . . 0.0 109.586 179.628 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.12 -28.93 59.06 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 21.2 t80 -94.87 -52.16 4.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.598 -0.942 . . . . 0.0 110.355 -179.77 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.55 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 67.7 m-85 -79.78 -48.98 12.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.135 -0.978 . . . . 0.0 111.25 -178.651 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' MET . 25.5 m -135.33 70.37 68.07 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 120.694 -1.254 . . . . 0.0 110.938 -178.581 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.53 -34.09 43.82 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.76 2.307 . . . . 0.0 111.703 179.117 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -77.02 -42.92 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.389 -0.819 . . . . 0.0 109.916 -179.775 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.3 m -61.36 -37.04 81.94 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.247 -0.908 . . . . 0.0 110.983 -179.373 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 58.3 m -86.31 -0.41 55.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.988 -1.07 . . . . 0.0 110.614 -178.48 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.21 35.12 39.03 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.701 -1.237 . . . . 0.0 110.497 178.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.8 m-30 -106.36 -13.0 15.49 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.113 -1.228 . . . . 0.0 108.084 178.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.303 -1.452 0 O-C-N 121.632 -0.667 . . . . 0.0 109.502 179.362 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 121.264 0.554 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.586 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 55.5 p30 -69.25 138.96 54.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.185 -0.947 . . . . 0.0 109.836 -179.677 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.606 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -66.15 140.14 58.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.925 . . . . 0.0 109.37 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -85.21 -24.23 27.94 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.345 -0.847 . . . . 0.0 109.779 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -89.19 -1.96 58.3 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.228 -0.92 . . . . 0.0 109.725 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -113.17 132.06 55.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.132 -0.98 . . . . 0.0 109.104 179.792 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -79.22 84.71 5.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.082 -1.011 . . . . 0.0 108.654 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 m -70.6 -35.92 73.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.359 -0.838 . . . . 0.0 109.52 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.479 ' C ' ' CD ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.97 -47.57 85.26 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.428 -0.795 . . . . 0.0 108.88 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.558 ' HG3' HD21 ' A' ' 26' ' ' ASN . 12.6 ttt85 -69.8 -43.63 71.72 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.3 -0.875 . . . . 0.0 109.377 179.551 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.3 m -64.72 -37.26 86.99 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.398 -0.814 . . . . 0.0 109.29 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.582 HD12 ' SG ' ' A' ' 29' ' ' CYS . 31.3 tp -63.81 -49.11 74.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.295 -0.878 . . . . 0.0 110.393 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 24.9 ptt180 -68.54 -17.97 64.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.132 -0.98 . . . . 0.0 109.064 -179.564 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.558 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.5 m-20 -83.36 -2.3 55.41 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.437 -0.789 . . . . 0.0 109.207 179.658 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.22 22.45 60.77 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 -179.394 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.421 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 16.3 t0 -59.52 -39.27 83.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.254 -1.145 . . . . 0.0 109.089 179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.582 ' SG ' HD12 ' A' ' 24' ' ' LEU . 27.5 m -66.95 -20.3 65.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.228 -0.92 . . . . 0.0 108.659 179.339 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -96.29 -0.94 48.94 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.419 -0.801 . . . . 0.0 110.203 -179.451 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -97.61 116.76 30.44 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.001 -1.062 . . . . 0.0 109.245 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.664 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.9 m-20 -58.55 -33.26 69.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.461 -0.774 . . . . 0.0 109.001 -179.843 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -66.38 -27.79 68.13 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.579 -0.701 . . . . 0.0 109.933 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.421 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 23.5 mttt -108.43 -1.5 19.82 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.185 -0.947 . . . . 0.0 109.831 -178.763 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 32' ' ' ASP . 11.6 mt -55.17 -46.78 75.79 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.23 -0.919 . . . . 0.0 109.449 -179.75 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.34 -38.83 92.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 108.917 179.153 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.77 -40.67 88.98 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.251 -0.906 . . . . 0.0 109.073 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.54 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -69.32 -44.52 71.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.434 -0.791 . . . . 0.0 110.397 -179.68 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.38 -27.85 63.81 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 28.4 t80 -94.96 -55.67 3.01 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.661 -0.905 . . . . 0.0 110.702 -179.581 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.562 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 69.9 m-85 -76.39 -48.36 20.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.933 . . . . 0.0 111.295 -178.738 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.488 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.8 m -135.99 70.08 63.79 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 120.717 -1.239 . . . . 0.0 111.088 -178.855 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' MET . 35.8 Cg_endo -66.71 -32.29 38.02 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.303 2.002 . . . . 0.0 111.585 179.355 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.9 t -79.58 -43.62 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.507 -0.746 . . . . 0.0 109.54 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.5 m -59.79 -37.32 78.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.307 -0.871 . . . . 0.0 110.608 -179.425 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.54 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 57.5 m -85.57 -9.13 57.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.003 -1.06 . . . . 0.0 110.265 -178.635 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.82 38.09 9.75 Favored Glycine 0 N--CA 1.491 2.335 0 C-N-CA 119.736 -1.221 . . . . 0.0 112.002 177.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 46' ' ' CYS . 36.4 m-85 -105.78 -18.64 14.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.711 -1.464 . . . . 0.0 107.739 177.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.51 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 120.961 0.41 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.585 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 52.1 p30 -76.04 141.97 41.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.105 -0.997 . . . . 0.0 109.001 179.046 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.96 136.27 57.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.944 -1.097 . . . . 0.0 109.824 -179.413 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.682 ' HZ3' HD21 ' A' ' 17' ' ' ASN . 19.3 pttm -86.28 -15.73 39.76 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.35 -0.843 . . . . 0.0 108.801 178.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.682 HD21 ' HZ3' ' A' ' 16' ' ' LYS . 73.9 m-20 -93.26 -15.63 25.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.551 -0.718 . . . . 0.0 109.71 -179.652 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -105.31 129.53 53.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -0.91 . . . . 0.0 109.162 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -74.83 86.71 2.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.127 -0.983 . . . . 0.0 109.03 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.67 -35.93 73.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.391 -0.818 . . . . 0.0 109.233 -179.735 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.75 ' HE ' HH21 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -58.25 -43.88 88.08 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.469 ' HG3' HD21 ' A' ' 26' ' ' ASN . 9.0 ttt85 -68.04 -46.96 69.69 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.302 -0.874 . . . . 0.0 109.598 179.402 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.5 p -65.41 -35.42 80.89 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.314 -0.866 . . . . 0.0 109.323 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.549 HD12 ' SG ' ' A' ' 29' ' ' CYS . 31.4 tp -62.57 -47.2 84.86 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.217 -0.927 . . . . 0.0 110.173 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.75 HH21 ' HE ' ' A' ' 21' ' ' ARG . 13.4 ptp180 -67.61 -25.32 65.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.147 -0.97 . . . . 0.0 109.101 -179.787 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.469 HD21 ' HG3' ' A' ' 22' ' ' ARG . 90.3 m-20 -77.15 -2.05 32.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.459 -0.776 . . . . 0.0 109.557 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.86 23.16 60.17 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.45 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.5 t0 -60.46 -38.49 84.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.286 -1.126 . . . . 0.0 109.881 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.549 ' SG ' HD12 ' A' ' 24' ' ' LEU . 25.5 m -66.84 -20.37 65.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.993 -1.067 . . . . 0.0 108.25 179.397 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -94.69 -2.6 50.88 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.676 -0.64 . . . . 0.0 110.116 -179.433 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.503 HD22 ' HE3' ' A' ' 34' ' ' LYS . 52.2 t-20 -98.81 114.93 27.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.037 -1.039 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.642 ' HA ' HD12 ' A' ' 35' ' ' LEU . 49.7 t0 -58.42 -33.15 69.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.426 -0.796 . . . . 0.0 109.28 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -66.36 -23.85 66.41 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.368 -0.832 . . . . 0.0 109.867 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.503 ' HE3' HD22 ' A' ' 31' ' ' ASN . 42.7 mttt -111.37 -1.57 15.94 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.117 -0.99 . . . . 0.0 109.685 -179.225 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.6 mt -57.04 -44.04 82.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.179 -0.95 . . . . 0.0 109.435 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.66 -38.67 89.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.048 -1.033 . . . . 0.0 108.483 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.92 -42.22 97.7 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.609 -0.837 . . . . 0.0 108.792 179.517 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.536 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.1 mmt -70.45 -46.15 64.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.508 -0.745 . . . . 0.0 110.051 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.75 -25.91 56.67 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 108.398 -1.881 . . . . 0.0 108.398 179.383 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -95.43 -54.32 3.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.591 -0.946 . . . . 0.0 110.024 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -78.81 -47.29 16.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.164 -0.96 . . . . 0.0 111.268 -178.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.5 m -135.96 71.56 62.6 Favored Pre-proline 0 N--CA 1.489 1.507 0 C-N-CA 118.905 -1.118 . . . . 0.0 111.151 -178.594 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.13 -32.24 27.94 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.523 2.148 . . . . 0.0 111.28 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.7 t -78.18 -43.47 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.409 -0.807 . . . . 0.0 109.706 179.785 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.0 m -61.21 -38.29 86.07 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.393 -0.817 . . . . 0.0 110.82 -179.025 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 57.8 m -86.1 -3.29 58.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.047 -1.033 . . . . 0.0 110.618 -178.461 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.59 35.17 33.19 Favored Glycine 0 N--CA 1.491 2.327 0 C-N-CA 120.075 -1.06 . . . . 0.0 111.224 178.699 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -104.4 -10.55 17.66 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.895 -1.356 . . . . 0.0 107.933 178.563 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.3 -1.545 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.559 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -74.75 130.87 40.24 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.276 -0.89 . . . . 0.0 109.178 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.559 ' O ' HG22 ' A' ' 3' ' ' ILE . 74.1 mt -79.91 1.15 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.188 -0.945 . . . . 0.0 109.622 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -72.06 -2.91 20.14 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.094 -1.004 . . . . 0.0 109.214 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 t -92.61 -3.02 55.65 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.507 -0.746 . . . . 0.0 109.327 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.8 -28.9 69.35 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.246 -0.909 . . . . 0.0 109.426 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.02 128.06 33.28 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.375 -0.828 . . . . 0.0 109.684 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -108.98 10.57 26.25 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.368 -0.832 . . . . 0.0 108.969 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.63 12.55 24.99 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.415 -0.803 . . . . 0.0 109.543 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -66.2 -26.68 67.51 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.357 -0.839 . . . . 0.0 109.337 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -106.06 122.46 46.22 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.147 -0.971 . . . . 0.0 109.502 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.8 m -109.18 145.31 36.01 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.554 -0.716 . . . . 0.0 109.118 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.39 152.74 49.98 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.273 -0.892 . . . . 0.0 109.892 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.544 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 51.0 p30 -76.48 148.72 37.01 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.239 -0.913 . . . . 0.0 108.571 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.93 136.08 54.81 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.841 -1.162 . . . . 0.0 110.095 -179.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.633 ' HZ3' ' ND2' ' A' ' 17' ' ' ASN . 23.7 pttm -80.34 -27.12 38.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.593 -0.692 . . . . 0.0 109.296 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.633 ' ND2' ' HZ3' ' A' ' 16' ' ' LYS . 80.9 m-20 -91.02 -8.19 49.79 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.43 -0.794 . . . . 0.0 109.917 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -104.94 132.43 51.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.957 . . . . 0.0 108.94 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -79.9 84.93 5.59 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.231 -0.918 . . . . 0.0 108.934 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.8 m -70.67 -33.94 71.47 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.303 -0.873 . . . . 0.0 109.445 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.86 -49.42 77.55 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.433 -0.792 . . . . 0.0 108.877 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' HG3' HD21 ' A' ' 26' ' ' ASN . 10.1 ttt85 -67.26 -44.13 80.13 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.354 -0.841 . . . . 0.0 109.343 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.8 m -63.89 -36.2 83.15 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 109.155 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.557 HD12 ' SG ' ' A' ' 29' ' ' CYS . 34.4 tp -65.93 -46.81 76.83 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.283 -0.886 . . . . 0.0 110.661 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 31.3 ptt180 -68.48 -24.88 64.74 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.03 -1.044 . . . . 0.0 108.74 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.555 HD21 ' HG3' ' A' ' 22' ' ' ARG . 92.4 m-20 -76.53 -2.67 33.5 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.95 23.14 62.23 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.246 -1.541 . . . . 0.0 109.246 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.412 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.8 t0 -58.17 -39.21 78.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.321 -1.105 . . . . 0.0 109.255 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.557 ' SG ' HD12 ' A' ' 24' ' ' LEU . 25.3 m -67.02 -20.95 65.94 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.212 -0.93 . . . . 0.0 108.813 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -93.66 -2.0 54.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.319 -0.863 . . . . 0.0 110.172 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -98.57 113.89 26.11 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.028 -1.045 . . . . 0.0 109.183 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.609 ' HA ' HD12 ' A' ' 35' ' ' LEU . 53.9 t0 -56.42 -34.0 66.36 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.157 -0.965 . . . . 0.0 109.167 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -65.42 -24.65 67.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.463 -0.773 . . . . 0.0 109.959 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 27.9 mttm -110.56 -3.15 16.1 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.099 -1.001 . . . . 0.0 109.581 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.9 mt -55.27 -42.06 73.07 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.413 -0.915 . . . . 0.0 108.849 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -67.17 -39.58 86.49 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.29 -0.882 . . . . 0.0 108.763 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.25 -39.45 90.41 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.421 -0.799 . . . . 0.0 109.154 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.55 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.7 mmt -70.11 -46.4 64.9 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.694 -0.629 . . . . 0.0 110.483 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.89 -27.51 59.48 Favored Glycine 0 N--CA 1.487 2.053 0 N-CA-C 108.345 -1.902 . . . . 0.0 108.345 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -94.44 -53.27 3.98 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.718 -0.872 . . . . 0.0 110.38 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -80.16 -46.84 15.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.066 -1.021 . . . . 0.0 111.447 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.2 m -136.33 70.43 61.3 Favored Pre-proline 0 N--CA 1.489 1.482 0 O-C-N 120.693 -1.254 . . . . 0.0 110.869 -178.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.81 -33.11 44.69 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.545 2.163 . . . . 0.0 111.233 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.1 t -78.42 -44.91 26.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.617 -0.677 . . . . 0.0 109.675 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 43.0 m -58.91 -38.87 79.91 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.407 -0.808 . . . . 0.0 110.952 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 69.7 m -85.89 -2.19 58.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.891 -1.13 . . . . 0.0 110.633 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.35 38.1 26.18 Favored Glycine 0 N--CA 1.49 2.281 0 C-N-CA 119.64 -1.267 . . . . 0.0 110.872 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.0 m-30 -107.8 -12.16 15.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.884 -1.362 . . . . 0.0 108.068 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.8 t -154.21 174.97 14.05 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -105.19 157.14 34.98 Favored Pre-proline 0 N--CA 1.491 1.612 0 O-C-N 121.315 -0.866 . . . . 0.0 109.601 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 N--CA 1.497 1.682 0 C-N-CA 123.025 2.483 . . . . 0.0 112.831 -179.756 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.529 ' CG ' ' H ' ' A' ' 2' ' ' ASP . 40.0 t-20 . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.529 ' H ' ' CG ' ' A' ' 1' ' ' ASN . 87.0 m-20 -67.07 143.39 56.72 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.033 -1.042 . . . . 0.0 109.369 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.549 ' O ' HG22 ' A' ' 3' ' ' ILE . 92.7 mt -72.42 -0.91 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.169 -0.957 . . . . 0.0 109.161 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -79.71 4.42 16.27 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.245 -0.909 . . . . 0.0 109.016 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 t -71.01 2.8 3.94 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.425 -0.797 . . . . 0.0 109.646 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.27 -19.32 59.77 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.306 -0.871 . . . . 0.0 109.908 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.3 156.77 36.8 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.075 -1.016 . . . . 0.0 109.802 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -90.7 10.94 23.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.244 -0.91 . . . . 0.0 108.818 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.98 20.67 2.18 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.314 -0.866 . . . . 0.0 110.138 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -66.19 -13.06 59.64 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.998 -1.063 . . . . 0.0 108.839 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -98.22 118.66 35.36 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.259 -0.9 . . . . 0.0 108.663 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.8 m -112.02 137.42 50.05 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.36 149.76 48.5 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.241 -0.912 . . . . 0.0 110.136 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.511 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 88.0 m-20 -68.72 139.65 55.37 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.308 -0.87 . . . . 0.0 108.825 179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.12 139.51 54.64 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.156 -0.965 . . . . 0.0 109.565 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -83.23 -25.59 31.57 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.301 -0.874 . . . . 0.0 109.548 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -92.6 -4.02 54.07 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.945 . . . . 0.0 109.816 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -108.73 132.96 53.44 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.185 -0.947 . . . . 0.0 109.174 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -80.25 84.79 5.86 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.213 -0.93 . . . . 0.0 109.06 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.0 m -67.29 -34.58 77.69 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.309 -0.869 . . . . 0.0 108.973 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.73 -45.23 95.07 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.637 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.552 ' HG3' HD21 ' A' ' 26' ' ' ASN . 7.3 ttp180 -69.68 -47.61 62.64 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.34 -0.85 . . . . 0.0 109.524 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.9 m -63.46 -36.66 84.5 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.502 -0.749 . . . . 0.0 109.192 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.508 HD12 ' SG ' ' A' ' 29' ' ' CYS . 45.2 tp -63.74 -50.78 67.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.218 -0.926 . . . . 0.0 110.609 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 18.6 ptt180 -67.21 -25.09 65.94 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.09 -1.006 . . . . 0.0 109.124 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.552 HD21 ' HG3' ' A' ' 22' ' ' ARG . 94.0 m-20 -75.96 -3.03 33.28 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.46 25.39 59.01 Favored Glycine 0 N--CA 1.489 2.169 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.403 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 14.4 t0 -60.89 -40.32 92.58 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.458 -1.025 . . . . 0.0 109.002 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.508 ' SG ' HD12 ' A' ' 24' ' ' LEU . 26.4 m -66.1 -20.69 66.24 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -96.74 2.87 52.46 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.423 -0.798 . . . . 0.0 109.869 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.472 HD22 ' HE3' ' A' ' 34' ' ' LYS . 50.3 t-20 -100.82 114.75 28.83 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.25 -0.906 . . . . 0.0 109.26 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.594 ' HA ' HD12 ' A' ' 35' ' ' LEU . 78.4 m-20 -56.63 -34.1 66.94 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.355 -0.841 . . . . 0.0 109.246 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -67.49 -25.87 66.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.404 -0.81 . . . . 0.0 109.934 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HE3' HD22 ' A' ' 31' ' ' ASN . 75.6 mttt -109.41 -2.84 17.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.23 -0.919 . . . . 0.0 109.802 -179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 32' ' ' ASP . 11.6 mt -52.71 -46.8 67.51 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.169 -0.957 . . . . 0.0 109.536 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -65.54 -39.83 92.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.224 -0.923 . . . . 0.0 109.183 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -58.38 -40.56 82.67 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.427 -0.795 . . . . 0.0 109.332 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.596 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.3 mmt -70.47 -45.3 65.99 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.433 -0.792 . . . . 0.0 110.162 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.99 -28.14 57.8 Favored Glycine 0 N--CA 1.483 1.81 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -94.88 -55.58 3.06 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.64 -0.918 . . . . 0.0 110.662 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -77.05 -47.61 20.12 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.174 -0.954 . . . . 0.0 111.027 -178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 38' ' ' MET . 9.7 m -134.96 71.5 69.35 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 120.679 -1.263 . . . . 0.0 110.824 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.94 -33.58 32.39 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.653 2.235 . . . . 0.0 111.624 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 81.9 t -78.88 -44.32 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.524 -0.735 . . . . 0.0 110.095 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.511 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 35.2 m -59.48 -38.86 81.93 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.368 -0.832 . . . . 0.0 110.608 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.596 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 93.3 m -85.69 -13.07 49.61 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.297 -0.961 . . . . 0.0 110.136 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.6 36.6 8.54 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.878 -1.153 . . . . 0.0 112.214 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.54 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 38.7 m-85 -104.66 -13.12 16.06 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.644 -1.503 . . . . 0.0 107.54 177.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -148.96 176.09 10.73 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' A' ' 50' ' ' GLU . 22.1 mp0 -111.73 150.97 43.05 Favored Pre-proline 0 C--N 1.303 -1.422 0 O-C-N 121.439 -0.788 . . . . 0.0 109.12 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.305 -1.725 0 C-N-CA 122.509 2.14 . . . . 0.0 112.517 179.848 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.2 m120 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.365 0.602 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -67.13 143.73 56.47 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.073 -1.017 . . . . 0.0 108.982 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 3' ' ' ILE . 76.2 mt -74.17 -0.34 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 121.299 -0.875 . . . . 0.0 109.267 -179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -75.77 2.37 12.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.35 -0.844 . . . . 0.0 109.186 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 t -79.43 1.99 23.44 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.168 -0.958 . . . . 0.0 109.027 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.35 -2.53 35.46 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.278 -0.888 . . . . 0.0 109.531 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.01 140.76 58.91 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.243 -0.911 . . . . 0.0 109.811 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -102.2 -0.1 33.65 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.354 -0.841 . . . . 0.0 109.23 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.46 20.73 1.53 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.361 -0.837 . . . . 0.0 109.491 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -70.93 -8.95 56.65 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.219 -0.925 . . . . 0.0 109.095 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -101.33 125.68 47.99 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.258 -0.902 . . . . 0.0 109.041 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.475 ' O ' HG21 ' A' ' 44' ' ' VAL . 6.1 m -111.67 161.12 16.59 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.57 149.56 48.14 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.1 -1.0 . . . . 0.0 110.028 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.536 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 81.6 m-20 -63.99 138.12 58.32 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.334 -0.854 . . . . 0.0 109.076 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.58 136.57 58.1 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.012 -1.055 . . . . 0.0 109.674 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 pttm -75.81 -28.99 58.54 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.204 -0.935 . . . . 0.0 109.91 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -91.96 -5.48 53.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.023 -1.048 . . . . 0.0 109.947 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -103.82 133.11 49.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.131 -0.981 . . . . 0.0 109.115 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -82.12 84.75 6.93 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.247 -0.908 . . . . 0.0 108.734 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.561 ' HB3' HG21 ' A' ' 45' ' ' THR . 18.6 m -67.37 -35.43 79.33 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.469 -0.77 . . . . 0.0 109.289 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.65 HH12 ' NH1' ' A' ' 25' ' ' ARG . 1.1 tmt_? -61.14 -46.12 91.86 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.542 0.687 . . . . 0.0 109.322 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.582 ' HG3' HD21 ' A' ' 26' ' ' ASN . 13.6 ttt180 -68.77 -46.96 67.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.123 -0.985 . . . . 0.0 109.678 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.5 m -64.42 -35.59 81.41 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.511 -0.743 . . . . 0.0 109.708 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.613 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.2 tp -65.61 -50.66 64.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.973 -1.079 . . . . 0.0 110.222 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.65 ' NH1' HH12 ' A' ' 21' ' ' ARG . 39.3 ptt180 -65.91 -22.74 66.52 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.984 -1.073 . . . . 0.0 108.611 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.582 HD21 ' HG3' ' A' ' 22' ' ' ARG . 92.2 m-20 -78.37 -2.02 36.19 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.543 -0.723 . . . . 0.0 109.709 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.47 20.28 69.46 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.231 -1.548 . . . . 0.0 109.231 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.403 ' OD1' ' HB3' ' A' ' 34' ' ' LYS . 11.0 t0 -59.26 -40.14 85.08 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.434 -1.039 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.613 ' SG ' HD12 ' A' ' 24' ' ' LEU . 42.0 m -66.8 -22.03 66.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.163 -0.961 . . . . 0.0 108.642 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -93.19 -1.01 56.71 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.513 -0.742 . . . . 0.0 110.185 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -98.34 115.1 27.73 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.991 -1.068 . . . . 0.0 109.369 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.648 ' HA ' HD12 ' A' ' 35' ' ' LEU . 20.5 t70 -56.57 -34.07 66.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -0.897 . . . . 0.0 109.376 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -67.11 -24.05 65.89 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.537 -0.727 . . . . 0.0 110.327 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HB3' ' OD1' ' A' ' 28' ' ' ASP . 17.5 mttt -109.93 -2.16 17.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.205 -0.934 . . . . 0.0 110.074 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.9 mt -56.2 -44.76 79.79 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.251 -0.905 . . . . 0.0 109.427 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -65.06 -41.39 95.18 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.275 -0.891 . . . . 0.0 109.157 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -61.93 -38.37 88.19 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.433 -0.792 . . . . 0.0 109.458 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.567 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.1 mmt -68.04 -45.22 74.52 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.356 -0.84 . . . . 0.0 109.462 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.98 -27.41 64.62 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 108.283 -1.927 . . . . 0.0 108.283 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 38.1 t80 -90.14 -50.02 6.23 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.745 -0.856 . . . . 0.0 109.87 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -83.64 -54.26 5.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.215 -0.928 . . . . 0.0 111.042 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.5 m -131.57 76.55 74.84 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 120.76 -1.213 . . . . 0.0 110.887 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.83 -32.42 22.86 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.381 2.054 . . . . 0.0 110.639 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 12' ' ' CYS . 99.7 t -78.89 -43.33 24.83 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 O-C-N 121.55 -0.719 . . . . 0.0 109.422 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.561 HG21 ' HB3' ' A' ' 20' ' ' CYS . 55.6 m -58.04 -39.5 78.57 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.461 -0.774 . . . . 0.0 110.781 -179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.567 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 70.6 m -86.46 -4.2 59.13 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.102 -0.999 . . . . 0.0 110.852 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.26 38.55 14.7 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.841 -1.171 . . . . 0.0 111.088 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 14.7 m-30 -108.01 -14.94 14.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.985 -1.303 . . . . 0.0 107.965 178.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m -128.51 170.05 13.63 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -106.24 117.93 56.1 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.196 -0.94 . . . . 0.0 109.363 179.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo . . . . . 0 C--N 1.308 -1.559 0 C-N-CA 122.223 1.949 . . . . 0.0 112.193 -179.749 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.2 m120 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -68.98 141.63 54.87 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 109.324 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.618 ' O ' HG22 ' A' ' 3' ' ' ILE . 94.4 mt -70.61 2.24 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.301 -0.874 . . . . 0.0 109.659 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -74.84 -0.06 17.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 109.638 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 t -87.31 2.53 49.95 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.185 -0.947 . . . . 0.0 109.487 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.68 -5.86 36.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.377 -0.827 . . . . 0.0 109.91 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.54 141.37 57.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.93 -1.106 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -99.32 9.12 43.96 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.384 -0.822 . . . . 0.0 109.059 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.55 18.05 6.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.389 -0.819 . . . . 0.0 109.949 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -67.79 -25.57 65.66 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.175 -0.953 . . . . 0.0 109.547 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -102.97 120.99 41.62 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.284 -0.885 . . . . 0.0 109.091 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.6 m -111.35 149.84 30.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.49 -0.756 . . . . 0.0 109.35 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.78 152.0 48.71 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.146 -0.971 . . . . 0.0 110.207 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.549 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 47.1 p30 -74.21 145.7 43.92 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.232 -0.917 . . . . 0.0 109.135 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.5 134.53 51.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.001 -1.062 . . . . 0.0 109.474 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HG3' ' HZ2' ' A' ' 16' ' ' LYS . 18.1 pttp -81.76 -25.6 35.18 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.426 -0.796 . . . . 0.0 109.47 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -88.17 -5.2 58.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.0 110.039 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -111.85 135.5 52.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.165 -0.96 . . . . 0.0 109.016 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -79.96 85.27 5.59 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.214 -0.929 . . . . 0.0 108.612 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.8 m -68.62 -36.72 79.03 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -0.885 . . . . 0.0 109.288 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.427 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.69 -46.53 90.03 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.53 ' HG3' HD21 ' A' ' 26' ' ' ASN . 12.7 ttm180 -66.78 -47.99 70.42 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.208 -0.933 . . . . 0.0 109.212 179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.7 m -62.79 -35.38 79.69 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.339 -0.851 . . . . 0.0 109.164 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.599 HD12 ' SG ' ' A' ' 29' ' ' CYS . 26.8 tp -64.59 -50.87 65.49 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.369 -0.832 . . . . 0.0 110.331 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.471 HH21 ' HE ' ' A' ' 22' ' ' ARG . 29.1 ptt180 -66.44 -25.05 66.56 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.011 -1.056 . . . . 0.0 108.771 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.53 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.1 m-20 -75.45 -1.35 23.65 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.03 22.11 72.23 Favored Glycine 0 N--CA 1.488 2.14 0 N-CA-C 109.067 -1.613 . . . . 0.0 109.067 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.42 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.6 t0 -57.71 -38.67 75.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.282 -1.128 . . . . 0.0 108.993 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.599 ' SG ' HD12 ' A' ' 24' ' ' LEU . 34.7 m -66.48 -20.28 66.0 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -95.84 3.2 53.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.47 -0.768 . . . . 0.0 109.957 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -101.12 114.33 28.18 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.079 -1.013 . . . . 0.0 109.3 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.682 ' HA ' HD12 ' A' ' 35' ' ' LEU . 88.6 m-20 -55.29 -34.82 64.46 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.511 -0.743 . . . . 0.0 109.095 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -67.7 -26.1 66.0 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.641 -0.662 . . . . 0.0 110.343 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 12.9 mttm -108.41 -2.56 18.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.136 -0.977 . . . . 0.0 109.627 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.4 mt -56.02 -46.99 78.63 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.194 -0.941 . . . . 0.0 109.406 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.36 -39.74 94.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.076 -1.015 . . . . 0.0 108.964 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -61.33 -39.1 89.28 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.379 -0.826 . . . . 0.0 109.414 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.57 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.3 mmt -69.26 -44.88 71.03 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.29 -0.881 . . . . 0.0 109.932 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.66 -24.39 56.88 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 30.8 t80 -94.94 -54.92 3.27 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.755 -0.85 . . . . 0.0 110.305 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -77.82 -54.75 5.97 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.181 -0.95 . . . . 0.0 110.587 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.2 m -129.88 74.14 80.87 Favored Pre-proline 0 N--CA 1.487 1.418 0 O-C-N 120.922 -1.111 . . . . 0.0 111.139 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.46 -33.22 38.14 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.723 2.282 . . . . 0.0 111.195 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.7 t -78.69 -43.01 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.557 -0.715 . . . . 0.0 109.595 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.406 HG22 HD13 ' A' ' 24' ' ' LEU . 90.3 m -59.27 -38.29 79.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.516 -0.74 . . . . 0.0 110.92 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 62.3 m -86.53 -3.16 58.98 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.985 -1.072 . . . . 0.0 110.692 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.69 39.33 17.93 Favored Glycine 0 N--CA 1.49 2.264 0 C-N-CA 119.888 -1.148 . . . . 0.0 110.858 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.8 m-30 -110.39 -14.58 14.1 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.079 -1.248 . . . . 0.0 108.594 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -149.86 176.59 10.6 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.576 -0.702 . . . . 0.0 109.567 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.99 149.93 36.63 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.172 -0.955 . . . . 0.0 109.965 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo . . . . . 0 N--CA 1.494 1.52 0 C-N-CA 122.83 2.353 . . . . 0.0 112.321 179.662 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.29 0.567 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -80.37 130.31 35.09 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.389 -0.819 . . . . 0.0 109.214 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 3' ' ' ILE . 76.8 mt -76.26 -1.86 3.82 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.315 -0.866 . . . . 0.0 109.798 -179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 89.8 mtt-85 -75.44 1.81 13.07 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.157 -0.964 . . . . 0.0 109.156 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 t -83.25 3.27 31.96 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.266 -0.896 . . . . 0.0 109.618 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.66 -10.97 60.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.324 -0.86 . . . . 0.0 109.594 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.34 135.28 55.11 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.152 -0.967 . . . . 0.0 109.1 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 10' ' ' GLU . 82.5 m-20 -102.02 0.5 35.18 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.958 -1.088 . . . . 0.0 109.81 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.15 18.38 0.05 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.088 -1.008 . . . . 0.0 109.466 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 8' ' ' ASP . 82.8 tt0 -75.08 -9.71 58.79 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.911 . . . . 0.0 108.715 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -100.98 126.06 47.62 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.415 -0.803 . . . . 0.0 109.13 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' O ' HG21 ' A' ' 44' ' ' VAL . 4.0 m -114.86 159.28 20.85 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.02 149.0 48.64 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.051 -1.031 . . . . 0.0 109.736 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.533 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 43.1 p30 -67.74 139.03 56.67 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.337 -0.852 . . . . 0.0 109.199 179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.36 138.8 58.26 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.919 -1.113 . . . . 0.0 109.743 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' NZ ' HD21 ' A' ' 17' ' ' ASN . 25.7 pttm -84.23 -26.28 28.8 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.174 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.506 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 78.2 m-20 -90.12 -7.57 53.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.441 -0.787 . . . . 0.0 110.508 -179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -109.08 131.49 55.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.879 -1.138 . . . . 0.0 108.985 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -78.0 85.94 4.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.323 -0.86 . . . . 0.0 109.492 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.4 m -68.47 -35.87 78.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.377 -0.827 . . . . 0.0 109.215 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -56.94 -42.34 79.87 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' HG3' HD21 ' A' ' 26' ' ' ASN . 20.9 ttt-85 -68.62 -47.13 67.45 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.71 -0.619 . . . . 0.0 109.619 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.9 p -67.89 -35.02 77.77 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.384 -0.823 . . . . 0.0 109.053 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.665 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.0 tp -64.69 -49.36 71.22 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.413 -0.804 . . . . 0.0 110.391 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' A' ' 22' ' ' ARG . 44.2 ptt85 -68.07 -26.23 65.73 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.2 -0.937 . . . . 0.0 109.259 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.504 HD21 ' HG3' ' A' ' 22' ' ' ARG . 95.9 m-20 -75.81 -1.79 26.86 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.445 -0.785 . . . . 0.0 108.946 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.4 22.6 62.27 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -57.9 -40.18 79.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -1.166 . . . . 0.0 109.681 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.665 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.9 m -63.81 -20.05 65.48 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -96.02 1.91 53.01 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.56 -0.713 . . . . 0.0 110.929 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -102.64 115.69 31.09 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.946 -1.096 . . . . 0.0 109.591 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.61 ' HA ' HD12 ' A' ' 35' ' ' LEU . 85.3 m-20 -56.9 -33.4 66.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.288 -0.882 . . . . 0.0 109.236 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.85 -22.68 64.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.274 -0.891 . . . . 0.0 110.247 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -111.03 -1.87 16.13 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.969 -1.082 . . . . 0.0 109.843 -179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.5 mt -56.68 -43.81 80.81 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.183 -0.948 . . . . 0.0 109.351 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.75 -38.05 85.85 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.099 -1.001 . . . . 0.0 108.928 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -60.84 -40.75 94.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.329 -0.857 . . . . 0.0 109.126 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.488 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.9 mmt -70.87 -44.88 65.44 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.329 -0.857 . . . . 0.0 109.846 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.0 -28.57 58.34 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 108.158 -1.977 . . . . 0.0 108.158 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -94.07 -53.28 4.03 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.774 -0.839 . . . . 0.0 110.64 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -80.56 -48.99 11.92 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.093 -1.004 . . . . 0.0 111.063 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.9 m -134.87 72.54 68.22 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 120.646 -1.284 . . . . 0.0 110.995 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' MET . 47.0 Cg_endo -69.57 -33.59 17.01 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.473 2.116 . . . . 0.0 111.147 178.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 12' ' ' CYS . 95.7 t -77.31 -42.34 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.646 -0.659 . . . . 0.0 109.373 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.9 m -60.97 -38.45 86.01 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.556 -0.715 . . . . 0.0 110.946 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 56.5 m -86.36 -1.95 57.99 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.946 -1.096 . . . . 0.0 110.629 -178.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.26 37.07 25.58 Favored Glycine 0 N--CA 1.493 2.467 0 C-N-CA 120.21 -0.995 . . . . 0.0 111.144 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.5 m-30 -106.36 -15.64 14.77 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.758 -1.436 . . . . 0.0 108.249 178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -127.91 170.67 12.57 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -109.15 116.42 55.3 Favored Pre-proline 0 N--CA 1.492 1.63 0 O-C-N 121.368 -0.833 . . . . 0.0 109.364 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo . . . . . 0 N--CA 1.491 1.327 0 C-N-CA 122.575 2.183 . . . . 0.0 112.428 -179.652 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.6 m120 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -65.81 142.95 57.77 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.315 -0.866 . . . . 0.0 109.254 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.618 ' O ' HG22 ' A' ' 3' ' ' ILE . 86.8 mt -77.32 6.01 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.223 -0.923 . . . . 0.0 108.738 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -74.98 -3.12 30.4 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.312 -0.868 . . . . 0.0 109.217 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.8 t -90.77 -3.8 57.15 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.443 -0.785 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.41 -2.37 38.01 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.348 -0.845 . . . . 0.0 109.382 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.56 141.24 26.14 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.401 -0.812 . . . . 0.0 109.869 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 10' ' ' GLU . 92.4 m-20 -112.67 12.36 19.72 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.377 -0.827 . . . . 0.0 110.065 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.21 12.54 0.12 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.031 -1.043 . . . . 0.0 109.413 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.543 ' H ' ' C ' ' A' ' 8' ' ' ASP . 84.6 tt0 -68.89 -25.92 64.84 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.471 -0.768 . . . . 0.0 109.738 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -101.02 122.18 43.09 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.226 -0.921 . . . . 0.0 109.169 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 79.1 m -91.13 139.92 30.3 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.374 -0.829 . . . . 0.0 108.876 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.51 150.61 47.68 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.242 -0.911 . . . . 0.0 109.862 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.569 ' OD1' ' O ' ' A' ' 14' ' ' ASP . 55.3 p30 -76.32 148.61 37.37 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.294 -0.879 . . . . 0.0 109.348 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.16 138.09 58.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.024 -1.047 . . . . 0.0 109.551 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -87.33 -25.83 23.69 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 -87.91 -6.8 57.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.574 -0.704 . . . . 0.0 109.839 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -110.56 129.88 55.69 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.114 -0.991 . . . . 0.0 109.347 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -75.97 84.12 2.87 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.193 -0.942 . . . . 0.0 108.562 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.427 ' HB3' HG21 ' A' ' 45' ' ' THR . 30.2 m -66.07 -34.17 77.46 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.333 -0.854 . . . . 0.0 108.871 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' O ' ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.05 -43.84 91.74 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.624 -0.672 . . . . 0.0 109.215 179.618 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.514 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 21.8 ttt-85 -68.28 -46.94 69.01 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.259 -0.901 . . . . 0.0 109.402 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.7 p -66.37 -34.16 77.34 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.23 -0.919 . . . . 0.0 109.063 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.613 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.0 tp -65.35 -49.93 67.53 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.288 -0.882 . . . . 0.0 110.007 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 22.9 ptt180 -66.21 -24.71 66.66 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.126 -0.984 . . . . 0.0 108.954 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.508 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.3 m-20 -77.4 -1.39 29.89 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.58 -0.7 . . . . 0.0 109.424 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 21.05 66.1 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -57.43 -39.76 76.91 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.279 -1.13 . . . . 0.0 109.375 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.613 ' SG ' HD12 ' A' ' 24' ' ' LEU . 50.4 m -64.91 -21.53 66.84 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -95.36 0.5 53.63 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.631 -0.668 . . . . 0.0 110.097 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -99.17 113.37 25.58 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.004 -1.06 . . . . 0.0 109.072 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.56 ' HA ' HD12 ' A' ' 35' ' ' LEU . 82.9 m-20 -56.77 -34.13 67.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.233 -0.917 . . . . 0.0 109.147 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -66.38 -24.51 66.5 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.52 -0.738 . . . . 0.0 110.15 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -110.58 -3.49 15.92 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.084 -1.01 . . . . 0.0 109.777 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.7 mt -52.85 -46.2 67.73 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.227 -0.92 . . . . 0.0 109.267 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.23 -37.51 85.69 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.283 -0.886 . . . . 0.0 108.658 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -60.54 -40.17 90.58 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.484 -0.76 . . . . 0.0 109.417 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.576 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.3 mmt -72.0 -45.46 60.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.104 -0.997 . . . . 0.0 109.393 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.61 -27.72 49.6 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 108.123 -1.991 . . . . 0.0 108.123 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -95.13 -53.29 3.86 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.906 -0.761 . . . . 0.0 110.125 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -78.52 -48.38 15.39 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -0.828 . . . . 0.0 110.914 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.5 m -137.43 75.41 45.34 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 120.753 -1.217 . . . . 0.0 110.994 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.01 -34.25 29.62 Favored 'Trans proline' 0 C--N 1.308 -1.591 0 C-N-CA 122.375 2.05 . . . . 0.0 111.281 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.5 t -78.83 -42.37 24.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 121.442 -0.786 . . . . 0.0 109.519 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.427 HG21 ' HB3' ' A' ' 20' ' ' CYS . 53.4 m -57.51 -39.8 77.3 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.326 -0.859 . . . . 0.0 110.52 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.576 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 59.3 m -86.48 -0.61 56.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.978 -1.076 . . . . 0.0 111.015 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.25 35.72 37.05 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 119.693 -1.241 . . . . 0.0 110.573 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.1 m-30 -104.85 -14.49 15.48 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.19 -1.182 . . . . 0.0 108.232 178.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 t -151.37 174.8 12.91 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -105.93 153.64 39.98 Favored Pre-proline 0 N--CA 1.492 1.653 0 O-C-N 121.178 -0.951 . . . . 0.0 109.454 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 41.4 Cg_endo . . . . . 0 C--N 1.306 -1.667 0 C-N-CA 122.571 2.181 . . . . 0.0 112.238 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.559 ' O ' ' O ' ' A' ' 2' ' ' ASP . 81.9 m-20 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.305 0.574 . . . . 0.0 109.532 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.559 ' O ' ' O ' ' A' ' 1' ' ' ASN . 68.1 m-20 54.36 123.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.48 -0.762 . . . . 0.0 109.918 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 3' ' ' ILE . 25.2 mm -79.49 -3.58 6.24 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 O-C-N 121.312 -0.867 . . . . 0.0 108.899 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.3 mtt85 -54.68 -28.96 51.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.266 -0.896 . . . . 0.0 109.31 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -73.1 4.81 3.95 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.39 -0.819 . . . . 0.0 109.59 -179.614 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.31 -5.7 37.99 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.161 -0.962 . . . . 0.0 109.386 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.63 126.55 30.54 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.275 -0.891 . . . . 0.0 109.298 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -116.37 -0.89 12.43 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.292 -0.88 . . . . 0.0 109.486 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.98 31.41 10.94 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.12 -0.988 . . . . 0.0 108.979 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -68.28 -12.67 61.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.39 -0.819 . . . . 0.0 109.825 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -100.98 119.59 38.95 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.993 -1.067 . . . . 0.0 109.354 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 61.0 m -117.37 143.01 46.42 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.39 152.57 49.8 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.003 -1.061 . . . . 0.0 110.04 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.467 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 86.9 m-20 -72.13 138.54 47.79 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.325 -0.859 . . . . 0.0 109.202 179.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.26 140.09 56.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.008 -1.057 . . . . 0.0 109.176 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -86.14 -25.25 25.85 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.305 -0.872 . . . . 0.0 109.919 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -89.27 -13.36 38.26 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.061 -1.024 . . . . 0.0 109.788 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -107.27 129.13 54.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.142 -0.974 . . . . 0.0 108.739 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -79.24 107.18 11.81 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.155 -0.966 . . . . 0.0 108.773 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.0 m -80.98 -34.95 32.66 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.755 -0.591 . . . . 0.0 109.563 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -43.99 94.18 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.181 -0.949 . . . . 0.0 108.586 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.538 ' HG3' HD21 ' A' ' 26' ' ' ASN . 16.9 ttt180 -66.05 -47.35 74.63 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.288 -0.883 . . . . 0.0 109.563 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.3 p -67.78 -34.68 77.27 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.222 -0.924 . . . . 0.0 109.237 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.653 HD12 ' SG ' ' A' ' 29' ' ' CYS . 27.6 tp -64.66 -50.5 66.8 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.257 -0.902 . . . . 0.0 110.091 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 36.0 ptt180 -66.41 -24.31 66.45 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.211 -0.931 . . . . 0.0 109.206 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.538 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.2 m-20 -78.08 -2.14 35.88 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.521 -0.737 . . . . 0.0 109.396 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.7 22.35 62.07 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.358 -1.497 . . . . 0.0 109.358 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.9 t0 -60.31 -38.76 84.69 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.361 -1.082 . . . . 0.0 109.391 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.653 ' SG ' HD12 ' A' ' 24' ' ' LEU . 22.3 m -67.41 -20.9 65.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.044 -1.035 . . . . 0.0 108.704 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -94.52 0.69 55.47 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.412 -0.805 . . . . 0.0 109.962 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -100.77 114.4 28.14 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.085 -1.009 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.582 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.4 m-20 -57.42 -33.93 68.4 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.349 -0.844 . . . . 0.0 109.234 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -67.94 -22.96 65.02 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.458 -0.776 . . . . 0.0 109.925 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 18.2 mttm -111.13 -1.51 16.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.208 -0.933 . . . . 0.0 109.657 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.4 mt -56.87 -45.32 82.57 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.357 -0.839 . . . . 0.0 109.16 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.19 -38.03 89.2 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.439 -0.788 . . . . 0.0 109.072 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -61.92 -41.62 98.14 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.357 -0.839 . . . . 0.0 109.147 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.564 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.9 mmt -69.62 -45.24 68.97 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.177 -0.952 . . . . 0.0 109.869 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.07 -27.66 60.15 Favored Glycine 0 N--CA 1.489 2.185 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.422 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 29.5 t80 -94.16 -49.16 5.88 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.604 -0.939 . . . . 0.0 110.102 -179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -82.94 -52.69 6.45 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.236 -0.915 . . . . 0.0 110.879 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 19.1 m -131.14 71.66 81.97 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 120.873 -1.142 . . . . 0.0 110.96 -179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.71 -34.02 42.39 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.463 2.109 . . . . 0.0 111.597 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.9 t -78.25 -42.85 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.585 -0.697 . . . . 0.0 110.054 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.467 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 63.6 m -61.31 -36.51 80.3 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.14 -0.975 . . . . 0.0 110.925 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.564 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 58.4 m -86.56 -5.86 59.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.932 -1.105 . . . . 0.0 110.296 -178.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.35 35.56 22.98 Favored Glycine 0 N--CA 1.493 2.463 0 C-N-CA 119.829 -1.176 . . . . 0.0 110.918 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.7 m-30 -105.65 -11.61 16.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.79 -1.418 . . . . 0.0 107.999 178.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -153.77 176.23 12.38 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.37 157.88 33.44 Favored Pre-proline 0 C--N 1.302 -1.468 0 O-C-N 121.409 -0.807 . . . . 0.0 109.521 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo . . . . . 0 C--N 1.306 -1.696 0 C-N-CA 122.608 2.205 . . . . 0.0 111.82 179.713 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.512 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 54.7 p30 -70.06 156.83 38.59 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.945 -1.097 . . . . 0.0 109.62 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.518 ' O ' HG22 ' A' ' 3' ' ' ILE . 36.4 mm -82.7 -3.38 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.232 -0.917 . . . . 0.0 108.832 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -76.61 0.7 19.21 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.576 -0.702 . . . . 0.0 109.608 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.8 t -81.48 0.83 36.05 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.365 -0.834 . . . . 0.0 109.067 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 7' ' ' ALA . . . -78.56 -5.45 52.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.446 -0.784 . . . . 0.0 109.5 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . 48.37 -177.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.172 -0.955 . . . . 0.0 109.107 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 53.5 t0 -150.98 4.07 0.46 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.032 -1.042 . . . . 0.0 109.516 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.3 mmm 53.56 20.56 2.15 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.415 -0.803 . . . . 0.0 109.889 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -63.64 -26.92 68.9 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.236 -0.915 . . . . 0.0 109.03 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -101.05 120.97 40.98 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.328 -0.857 . . . . 0.0 109.137 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.6 m -105.75 136.42 45.4 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.539 -0.726 . . . . 0.0 109.221 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.46 151.42 49.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.273 -0.892 . . . . 0.0 109.796 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.439 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 79.1 m-20 -70.95 140.55 50.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.277 -0.89 . . . . 0.0 109.296 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.38 135.01 57.25 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.035 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -82.09 -20.76 37.49 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.173 -0.954 . . . . 0.0 109.688 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -94.34 -6.48 44.21 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.165 -0.959 . . . . 0.0 110.421 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -108.49 129.82 55.27 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.106 -0.996 . . . . 0.0 109.532 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -75.82 85.25 2.79 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.27 -0.894 . . . . 0.0 108.966 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 14.3 m -69.63 -34.69 74.42 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.481 -0.762 . . . . 0.0 109.435 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.88 -44.21 91.1 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.539 ' HG3' HD21 ' A' ' 26' ' ' ASN . 25.8 ttt-85 -67.95 -47.64 68.11 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.517 -0.739 . . . . 0.0 109.795 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.1 p -65.27 -35.16 80.19 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.199 -0.938 . . . . 0.0 109.343 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.619 HD12 ' SG ' ' A' ' 29' ' ' CYS . 25.1 tp -64.55 -51.7 61.49 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.55 -0.719 . . . . 0.0 109.918 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 23.2 ptt180 -65.65 -23.91 66.9 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.228 -0.92 . . . . 0.0 109.005 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.539 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.4 m-20 -78.21 -1.04 30.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.335 -0.853 . . . . 0.0 109.497 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.08 22.23 66.13 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -60.06 -41.25 91.96 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.403 -1.057 . . . . 0.0 109.696 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.619 ' SG ' HD12 ' A' ' 24' ' ' LEU . 32.4 m -64.25 -20.21 65.9 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.095 -1.003 . . . . 0.0 108.876 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -96.16 2.05 52.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.421 -0.799 . . . . 0.0 110.093 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 50.2 t-20 -100.31 113.74 26.69 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.148 -0.97 . . . . 0.0 109.187 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.603 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.0 m-20 -55.92 -33.77 64.98 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.299 -0.876 . . . . 0.0 109.205 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -67.33 -23.41 65.62 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.641 -0.662 . . . . 0.0 110.469 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HG3' ' ND2' ' A' ' 31' ' ' ASN . 22.1 mttt -111.73 -1.08 15.77 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.174 -0.954 . . . . 0.0 109.809 -179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 32' ' ' ASP . 16.4 mt -58.48 -43.96 89.17 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.405 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.9 -40.12 91.22 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.249 -0.907 . . . . 0.0 108.918 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -61.73 -38.83 89.37 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.416 -0.802 . . . . 0.0 108.997 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.568 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 36.3 mmt -68.55 -47.82 65.87 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.378 -0.826 . . . . 0.0 109.801 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.79 -23.71 51.38 Favored Glycine 0 N--CA 1.488 2.102 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -93.18 -52.17 4.68 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.853 -0.792 . . . . 0.0 110.468 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -82.15 -56.57 3.85 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.129 -0.982 . . . . 0.0 111.035 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.5 m -128.54 73.78 80.44 Favored Pre-proline 0 N--CA 1.488 1.45 0 O-C-N 120.941 -1.099 . . . . 0.0 110.963 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -64.99 -32.46 53.9 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.395 2.063 . . . . 0.0 111.009 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.3 t -80.09 -44.36 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.557 -0.714 . . . . 0.0 109.708 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.439 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 61.7 m -56.54 -38.06 71.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.148 -0.97 . . . . 0.0 110.314 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.568 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 63.5 m -86.3 -5.85 59.09 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.041 -1.037 . . . . 0.0 110.443 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.29 34.95 27.94 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 120.021 -1.085 . . . . 0.0 112.26 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 18.0 m-85 -104.23 -16.72 15.12 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.61 -1.524 . . . . 0.0 108.006 178.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t -143.4 175.62 9.78 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.345 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -102.57 151.2 38.21 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.0 109.228 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo . . . . . 0 N--CA 1.495 1.596 0 C-N-CA 122.552 2.168 . . . . 0.0 112.283 -179.49 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.1 m120 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.323 0.582 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -70.63 143.79 51.34 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.377 -0.827 . . . . 0.0 109.876 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.516 ' O ' HG22 ' A' ' 3' ' ' ILE . 80.0 mt -78.66 -5.03 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.21 -0.931 . . . . 0.0 109.856 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.503 ' C ' ' H ' ' A' ' 6' ' ' ALA . 78.0 mtm180 -56.38 -29.44 61.46 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.119 -0.988 . . . . 0.0 109.101 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -65.62 5.71 0.41 Allowed 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.408 -0.807 . . . . 0.0 109.523 -179.665 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 4' ' ' ARG . . . -68.95 -1.73 8.09 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.29 -0.881 . . . . 0.0 109.069 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.62 145.73 38.6 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.231 -0.918 . . . . 0.0 109.193 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.496 ' C ' ' OD1' ' A' ' 8' ' ' ASP . 43.6 p30 -98.4 6.04 47.61 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.451 -0.781 . . . . 0.0 108.979 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 42.43 23.29 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.425 -0.797 . . . . 0.0 109.848 179.695 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 8' ' ' ASP . 81.7 tt0 -70.02 -13.06 62.05 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.215 -0.928 . . . . 0.0 109.465 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -102.32 122.47 44.3 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 109.181 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.3 m -102.69 139.52 38.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.485 -0.76 . . . . 0.0 109.065 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.05 151.81 50.24 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.922 . . . . 0.0 109.894 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.514 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.0 m-20 -74.15 140.57 45.28 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.289 -0.882 . . . . 0.0 109.302 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 136.33 57.23 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.215 -0.928 . . . . 0.0 108.902 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 pttm -82.61 -26.69 32.03 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.271 -0.893 . . . . 0.0 109.173 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -90.45 -4.85 56.71 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.445 -0.784 . . . . 0.0 110.159 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -107.72 128.9 54.98 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.053 -1.029 . . . . 0.0 109.224 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -76.27 84.91 3.07 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.125 -0.985 . . . . 0.0 108.531 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -69.82 -35.52 74.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.4 -0.812 . . . . 0.0 109.455 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -57.08 -44.61 83.27 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.543 ' HG3' HD21 ' A' ' 26' ' ' ASN . 20.3 ttt-85 -68.01 -46.82 70.19 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.344 -0.847 . . . . 0.0 109.847 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.7 p -66.19 -34.23 77.56 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.173 -0.954 . . . . 0.0 109.187 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.656 HD12 ' SG ' ' A' ' 29' ' ' CYS . 27.9 tp -65.88 -49.58 67.57 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.324 -0.86 . . . . 0.0 110.592 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 27.3 ptt180 -68.02 -21.15 65.05 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.076 -1.015 . . . . 0.0 109.127 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.543 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.3 m-20 -80.4 -2.97 47.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.584 -0.698 . . . . 0.0 109.269 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.5 20.48 61.96 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 109.294 -1.522 . . . . 0.0 109.294 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 22.5 t0 -58.52 -40.26 82.41 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.302 -1.116 . . . . 0.0 109.623 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.656 ' SG ' HD12 ' A' ' 24' ' ' LEU . 27.4 m -66.79 -18.42 65.37 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.129 -0.982 . . . . 0.0 108.848 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -98.05 0.63 46.56 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.427 -0.796 . . . . 0.0 110.269 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -99.08 116.2 30.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.183 -0.948 . . . . 0.0 109.168 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.612 ' HA ' HD12 ' A' ' 35' ' ' LEU . 85.5 m-20 -58.02 -34.21 69.79 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.08 -1.012 . . . . 0.0 109.238 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -65.93 -24.73 66.89 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.375 -0.828 . . . . 0.0 110.033 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 40.6 mttt -110.7 -1.44 16.72 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.097 -1.002 . . . . 0.0 109.876 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.6 mt -53.87 -45.53 71.04 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.231 -0.918 . . . . 0.0 109.455 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -66.26 -36.89 84.16 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.275 -0.891 . . . . 0.0 109.434 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.12 -40.92 97.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.193 -0.942 . . . . 0.0 109.435 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.67 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 36.9 mmt -70.14 -45.8 66.07 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.396 -0.815 . . . . 0.0 109.882 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.17 -26.95 56.94 Favored Glycine 0 N--CA 1.488 2.108 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -94.39 -55.38 3.19 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.571 -0.958 . . . . 0.0 110.839 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -78.15 -48.82 15.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.244 -0.91 . . . . 0.0 110.787 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.472 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.3 m -132.52 72.6 77.79 Favored Pre-proline 0 N--CA 1.489 1.487 0 C-N-CA 119.196 -1.002 . . . . 0.0 110.706 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.49 -34.32 26.5 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.355 2.037 . . . . 0.0 111.204 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.9 t -79.13 -44.22 24.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.686 -0.634 . . . . 0.0 109.57 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.514 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 54.8 m -56.86 -39.43 74.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.561 -0.712 . . . . 0.0 110.724 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.67 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 76.4 m -86.09 -13.23 47.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.087 -1.008 . . . . 0.0 110.499 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.57 34.9 9.78 Favored Glycine 0 N--CA 1.491 2.309 0 C-N-CA 119.748 -1.215 . . . . 0.0 111.766 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.502 ' CE2' ' HB3' ' A' ' 46' ' ' CYS . 38.8 m-85 -102.5 -14.8 16.67 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.788 -1.419 . . . . 0.0 107.41 177.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t -146.14 177.07 9.26 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -109.28 149.6 39.96 Favored Pre-proline 0 C--N 1.302 -1.485 0 O-C-N 121.189 -0.944 . . . . 0.0 109.022 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 C--N 1.305 -1.746 0 C-N-CA 121.975 1.784 . . . . 0.0 111.992 -179.872 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 40.3 p-10 . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -72.05 133.84 45.5 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.252 -0.905 . . . . 0.0 109.572 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.447 ' O ' HG22 ' A' ' 3' ' ' ILE . 30.4 mm -77.72 -0.49 3.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 O-C-N 121.321 -0.862 . . . . 0.0 109.277 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -77.15 -3.09 37.71 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.102 -0.998 . . . . 0.0 109.642 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t -73.88 -0.11 14.99 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.108 -0.995 . . . . 0.0 108.841 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.45 2.82 27.05 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.341 -0.849 . . . . 0.0 109.473 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.64 141.53 9.56 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.275 -0.891 . . . . 0.0 109.731 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' A' ' 10' ' ' GLU . 84.0 m-20 -99.29 12.17 37.01 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.401 -0.812 . . . . 0.0 108.986 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.16 12.82 0.19 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.283 -0.886 . . . . 0.0 109.667 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 8' ' ' ASP . 46.0 tp10 -68.52 -20.8 64.59 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.612 -0.68 . . . . 0.0 109.385 179.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -101.24 126.55 47.98 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.286 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.468 ' O ' HG21 ' A' ' 44' ' ' VAL . 3.6 m -107.99 156.57 19.08 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.76 150.61 48.48 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.095 -1.003 . . . . 0.0 109.745 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.549 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.9 m-20 -66.99 134.84 52.77 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.35 -0.844 . . . . 0.0 109.111 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.17 138.97 55.75 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.207 -0.933 . . . . 0.0 109.401 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.846 ' NZ ' HD21 ' A' ' 17' ' ' ASN . 8.7 pttm -85.46 -22.26 28.34 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.364 -0.835 . . . . 0.0 109.221 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.846 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 64.5 m-80 -88.88 -10.36 48.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.231 -0.918 . . . . 0.0 109.042 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -107.92 133.92 51.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 109.021 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -81.4 86.34 6.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.001 -1.062 . . . . 0.0 108.718 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -68.39 -36.52 79.26 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.203 -0.936 . . . . 0.0 109.874 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.426 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.28 -45.32 91.55 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.244 -0.651 . . . . 0.0 109.244 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.46 ' HG3' HD21 ' A' ' 26' ' ' ASN . 16.6 ttt-85 -69.32 -47.24 65.01 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.185 -0.947 . . . . 0.0 109.188 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -61.89 -37.64 85.35 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.335 -0.853 . . . . 0.0 109.597 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' SG ' ' A' ' 29' ' ' CYS . 40.9 tp -62.59 -49.29 75.82 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.291 -0.88 . . . . 0.0 110.348 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 8.3 ptm180 -67.24 -22.73 65.67 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.963 -1.086 . . . . 0.0 108.872 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.46 HD21 ' HG3' ' A' ' 22' ' ' ARG . 95.7 m-20 -77.79 -1.51 31.79 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.504 -0.748 . . . . 0.0 109.33 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.43 22.42 64.89 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.448 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 19.8 t0 -59.19 -40.26 85.15 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -1.061 . . . . 0.0 109.072 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' HD12 ' A' ' 24' ' ' LEU . 21.2 m -67.03 -21.06 65.94 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -94.59 -0.77 54.26 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.409 -0.807 . . . . 0.0 110.132 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.466 HD22 ' HE3' ' A' ' 34' ' ' LYS . 59.6 t-20 -98.95 114.5 27.16 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.892 -1.13 . . . . 0.0 109.24 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.597 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.2 m-20 -57.23 -32.28 66.37 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.162 -0.961 . . . . 0.0 109.029 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -68.51 -22.07 64.55 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.698 -0.626 . . . . 0.0 110.326 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HE3' HD22 ' A' ' 31' ' ' ASN . 32.4 mttt -113.16 -2.11 14.2 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.089 -1.007 . . . . 0.0 109.41 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 32' ' ' ASP . 15.0 mt -55.7 -44.31 77.3 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 119.201 -1.0 . . . . 0.0 109.251 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.7 tt -65.15 -38.6 91.12 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.252 -0.905 . . . . 0.0 108.841 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -61.93 -39.0 90.55 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.323 -0.861 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.553 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.4 mmt -70.67 -48.28 55.63 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.485 -0.76 . . . . 0.0 109.707 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.37 -26.33 50.91 Favored Glycine 0 N--CA 1.485 1.952 0 N-CA-C 108.265 -1.934 . . . . 0.0 108.265 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -95.27 -54.39 3.43 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.49 -1.006 . . . . 0.0 110.599 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -80.93 -48.54 12.18 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.103 -0.998 . . . . 0.0 111.071 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.3 m -131.83 69.45 81.06 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 120.99 -1.069 . . . . 0.0 110.779 -178.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' MET . 40.2 Cg_endo -67.47 -33.95 27.7 Favored 'Trans proline' 0 C--N 1.303 -1.86 0 C-N-CA 122.424 2.083 . . . . 0.0 111.668 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 12' ' ' CYS . 94.0 t -78.61 -41.84 25.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.52 -0.737 . . . . 0.0 110.039 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.549 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 33.9 m -61.83 -38.25 87.49 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.251 -0.906 . . . . 0.0 110.712 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.553 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 67.4 m -85.8 0.33 53.22 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.158 -0.964 . . . . 0.0 110.636 -178.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.43 38.75 32.47 Favored Glycine 0 N--CA 1.492 2.429 0 C-N-CA 120.015 -1.088 . . . . 0.0 110.726 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -109.15 -12.47 14.81 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.181 -1.188 . . . . 0.0 108.224 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.4 m -131.49 163.35 28.18 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -103.72 113.59 65.38 Favored Pre-proline 0 C--N 1.302 -1.478 0 O-C-N 121.231 -0.918 . . . . 0.0 109.755 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo . . . . . 0 C--N 1.312 -1.368 0 C-N-CA 122.315 2.01 . . . . 0.0 112.307 179.909 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 48.3 t30 . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -82.83 131.78 35.18 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.334 -0.854 . . . . 0.0 110.024 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.533 ' O ' HG22 ' A' ' 3' ' ' ILE . 84.4 mt -75.48 -2.37 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.403 -0.811 . . . . 0.0 109.396 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -75.07 2.16 11.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.215 -0.928 . . . . 0.0 109.141 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 5' ' ' THR . 1.1 t -77.55 7.15 5.9 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.416 -0.803 . . . . 0.0 108.942 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.44 -1.34 6.32 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.71 147.17 33.96 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.444 -0.785 . . . . 0.0 109.2 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -97.46 6.99 47.35 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.226 -0.921 . . . . 0.0 109.656 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.56 10.13 21.5 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.016 -1.052 . . . . 0.0 109.466 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -72.8 -18.33 61.48 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.467 -0.771 . . . . 0.0 109.467 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -102.64 124.88 48.99 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.321 -0.862 . . . . 0.0 109.495 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 79.1 m -110.13 147.26 34.01 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.521 -0.737 . . . . 0.0 109.314 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.38 153.22 50.23 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.095 -1.003 . . . . 0.0 109.699 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.603 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 50.2 p30 -75.81 138.96 41.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.039 -1.038 . . . . 0.0 108.823 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -59.78 140.91 56.19 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.034 -1.041 . . . . 0.0 109.798 -179.499 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -85.8 -25.26 26.43 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.239 -0.913 . . . . 0.0 109.376 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -86.72 -2.92 58.93 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.223 -0.923 . . . . 0.0 109.503 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -113.2 132.58 55.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.452 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -79.78 84.98 5.51 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.099 -1.0 . . . . 0.0 108.783 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.2 m -71.67 -36.18 70.56 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.512 -0.742 . . . . 0.0 109.797 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.08 -48.16 82.61 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.287 -0.883 . . . . 0.0 108.888 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.557 ' HG3' HD21 ' A' ' 26' ' ' ASN . 10.8 ttm180 -68.26 -46.12 71.3 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.212 -0.93 . . . . 0.0 109.551 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.0 m -62.17 -35.74 79.75 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.22 -0.925 . . . . 0.0 109.073 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.517 HD12 ' SG ' ' A' ' 29' ' ' CYS . 41.1 tp -65.46 -47.37 76.36 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.466 -0.771 . . . . 0.0 110.394 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.54 HH21 ' HE ' ' A' ' 22' ' ' ARG . 40.9 ptt85 -69.68 -19.41 63.58 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.932 -1.105 . . . . 0.0 109.019 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.557 HD21 ' HG3' ' A' ' 22' ' ' ARG . 93.6 m-20 -82.14 -1.04 47.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.418 -0.802 . . . . 0.0 109.246 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.72 23.58 59.77 Favored Glycine 0 N--CA 1.488 2.149 0 N-CA-C 109.395 -1.482 . . . . 0.0 109.395 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 14.5 t0 -59.54 -40.49 87.37 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.229 -1.159 . . . . 0.0 109.222 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.517 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.3 m -65.42 -20.31 66.31 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.34 -0.85 . . . . 0.0 108.818 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -96.18 -1.12 48.99 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.515 -0.74 . . . . 0.0 110.135 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -98.7 114.28 26.71 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.011 -1.055 . . . . 0.0 109.057 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.56 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.1 m-20 -56.94 -34.38 67.95 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 109.547 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.55 -23.21 65.4 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.514 -0.741 . . . . 0.0 109.896 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 19.5 mttt -109.8 -1.71 17.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.116 -0.99 . . . . 0.0 109.762 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 32' ' ' ASP . 15.5 mt -56.4 -44.05 79.89 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.124 -0.985 . . . . 0.0 109.717 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.65 -40.41 92.43 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.124 -0.985 . . . . 0.0 109.006 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -59.65 -39.56 84.83 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.352 -0.842 . . . . 0.0 109.098 -179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.528 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.22 -46.7 63.99 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.203 -0.936 . . . . 0.0 109.73 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.59 -28.28 56.01 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.26 -1.936 . . . . 0.0 108.26 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 33.7 t80 -94.44 -56.81 2.68 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.778 -0.836 . . . . 0.0 110.065 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.559 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 84.4 m-85 -77.28 -42.85 35.41 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.0 111.298 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.505 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -139.63 71.34 37.4 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 120.504 -1.373 . . . . 0.0 111.488 -178.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.12 -34.8 27.23 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.514 2.143 . . . . 0.0 111.571 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.2 t -77.69 -43.87 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.517 -0.739 . . . . 0.0 109.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.8 m -59.4 -39.24 82.78 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.419 -0.801 . . . . 0.0 110.908 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 64.4 m -86.65 -0.48 56.32 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.994 -1.066 . . . . 0.0 110.881 -178.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.11 36.95 33.81 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.68 -1.248 . . . . 0.0 110.461 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.4 m-30 -106.75 -11.23 15.85 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.961 -1.317 . . . . 0.0 108.561 178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 t -154.37 175.89 12.99 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.523 -0.736 . . . . 0.0 109.421 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.518 ' N ' ' OE1' ' A' ' 50' ' ' GLU . 26.1 mp0 -103.12 151.57 38.49 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.259 -0.9 . . . . 0.0 109.459 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 26.2 Cg_endo . . . . . 0 C--N 1.308 -1.59 0 C-N-CA 122.743 2.295 . . . . 0.0 112.282 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.285 0.564 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -76.21 130.31 38.03 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.343 -0.848 . . . . 0.0 109.265 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.565 ' O ' HG22 ' A' ' 3' ' ' ILE . 82.6 mt -71.76 0.56 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.294 -0.879 . . . . 0.0 109.941 -179.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -79.69 0.49 30.16 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.948 -1.095 . . . . 0.0 109.205 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 t -79.74 -0.98 36.54 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.86 0.66 17.41 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.515 -0.741 . . . . 0.0 109.422 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.41 143.33 35.13 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.256 -0.903 . . . . 0.0 109.954 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' C ' ' OD1' ' A' ' 8' ' ' ASP . 56.2 p30 -147.83 14.89 1.07 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.6 mmm 56.88 17.97 3.59 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.662 -0.649 . . . . 0.0 110.291 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -69.4 -8.05 43.04 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -101.7 122.16 43.4 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.284 -0.885 . . . . 0.0 109.108 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.2 m -99.87 143.05 30.54 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.446 -0.784 . . . . 0.0 109.312 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.17 151.86 49.27 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.349 -0.844 . . . . 0.0 109.673 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.477 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 85.7 m-20 -70.27 139.51 52.17 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.197 -0.939 . . . . 0.0 109.408 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.7 OUTLIER -61.34 141.05 57.87 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.077 -1.014 . . . . 0.0 109.625 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -85.48 -24.66 27.28 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.435 -0.79 . . . . 0.0 109.845 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -88.79 -2.92 58.84 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.272 -0.893 . . . . 0.0 109.648 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -112.97 136.0 53.12 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.441 -0.787 . . . . 0.0 109.422 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -82.73 84.98 7.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.127 -0.983 . . . . 0.0 109.193 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.6 m -69.29 -37.07 77.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.218 -0.926 . . . . 0.0 109.541 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -58.83 -45.62 89.58 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.525 ' HG3' HD21 ' A' ' 26' ' ' ASN . 13.4 ttt180 -70.1 -44.59 68.68 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.339 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.0 m -64.16 -36.64 84.72 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.346 -0.847 . . . . 0.0 109.538 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.4 tp -63.32 -49.05 75.48 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.143 -0.973 . . . . 0.0 110.304 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 28.5 ptt180 -68.13 -23.55 64.91 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.11 -0.994 . . . . 0.0 109.094 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.525 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.5 m-20 -77.1 -2.16 32.79 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.66 20.85 67.68 Favored Glycine 0 N--CA 1.488 2.134 0 N-CA-C 108.871 -1.692 . . . . 0.0 108.871 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 14.5 t0 -57.94 -39.68 78.65 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.389 -1.065 . . . . 0.0 109.195 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.59 ' SG ' HD12 ' A' ' 24' ' ' LEU . 34.2 m -66.31 -19.53 65.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.299 -0.876 . . . . 0.0 108.684 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -98.28 2.35 48.09 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.481 -0.762 . . . . 0.0 110.27 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.503 HD22 ' HE3' ' A' ' 34' ' ' LYS . 55.0 t-20 -100.4 116.66 32.89 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.126 -0.983 . . . . 0.0 109.671 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.633 ' HA ' HD12 ' A' ' 35' ' ' LEU . 82.4 m-20 -57.5 -34.82 69.47 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.397 -0.814 . . . . 0.0 108.938 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -66.35 -27.92 68.26 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.63 -0.668 . . . . 0.0 110.196 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.503 ' HE3' HD22 ' A' ' 31' ' ' ASN . 65.4 mttt -108.37 -2.71 18.91 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.099 -1.0 . . . . 0.0 110.019 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.1 mt -51.79 -44.74 63.55 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.201 -0.937 . . . . 0.0 109.239 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.84 -38.35 83.07 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.195 -0.94 . . . . 0.0 109.259 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.75 -39.43 88.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.199 -0.938 . . . . 0.0 109.074 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.6 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -71.16 -47.93 54.84 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.219 -0.925 . . . . 0.0 109.852 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.51 -28.82 45.98 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.504 -1.838 . . . . 0.0 108.504 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -94.96 -56.93 2.58 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.545 -0.973 . . . . 0.0 110.321 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.543 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 69.5 m-85 -74.84 -40.29 61.11 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.179 -0.95 . . . . 0.0 111.249 -178.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.1 m -142.28 69.97 22.19 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 120.707 -1.246 . . . . 0.0 111.094 -178.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -65.46 -33.45 46.76 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 122.595 2.197 . . . . 0.0 111.735 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.6 t -80.5 -43.85 21.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 O-C-N 121.488 -0.758 . . . . 0.0 110.34 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.477 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 41.6 m -59.46 -38.53 80.99 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.255 -0.903 . . . . 0.0 110.711 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.6 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 93.2 m -85.96 -11.5 52.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.922 -1.111 . . . . 0.0 110.613 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.53 41.01 7.51 Favored Glycine 0 N--CA 1.491 2.32 0 C-N-CA 119.734 -1.222 . . . . 0.0 111.854 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.549 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 38.1 m-85 -108.12 -15.93 14.39 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.829 -1.395 . . . . 0.0 108.059 177.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.8 t -142.34 176.11 9.25 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.558 ' N ' ' OE1' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -99.54 153.85 37.57 Favored Pre-proline 0 C--N 1.3 -1.545 0 O-C-N 121.277 -0.889 . . . . 0.0 109.147 179.731 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo . . . . . 0 C--N 1.307 -1.652 0 C-N-CA 122.64 2.226 . . . . 0.0 112.178 -179.856 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 49.4 t30 . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -77.94 129.78 35.74 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.26 -0.9 . . . . 0.0 109.716 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.503 ' O ' HG22 ' A' ' 3' ' ' ILE . 81.5 mt -74.01 -4.52 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.34 -0.85 . . . . 0.0 110.034 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -76.72 2.55 13.96 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.163 -0.961 . . . . 0.0 109.127 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 t -75.31 5.32 5.76 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.386 -0.821 . . . . 0.0 109.03 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.06 -5.34 43.61 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.507 -0.745 . . . . 0.0 109.648 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.71 144.35 56.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.245 -0.91 . . . . 0.0 109.824 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.545 ' C ' ' H ' ' A' ' 10' ' ' GLU . 47.0 p30 -112.27 13.84 20.45 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 76.6 mmm -65.8 13.79 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.63 -0.669 . . . . 0.0 110.139 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' A' ' 8' ' ' ASP . 87.7 tt0 -82.03 -13.45 57.35 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.209 -0.932 . . . . 0.0 108.863 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -103.93 123.43 47.14 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.339 -0.851 . . . . 0.0 109.106 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.49 ' O ' HG21 ' A' ' 44' ' ' VAL . 3.9 m -110.4 157.03 20.0 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.31 149.67 48.52 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.026 -1.046 . . . . 0.0 109.571 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.516 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 51.6 p30 -65.64 142.28 58.11 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.358 -0.838 . . . . 0.0 109.399 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.36 138.18 57.41 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.149 -0.969 . . . . 0.0 109.393 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.848 ' NZ ' HD21 ' A' ' 17' ' ' ASN . 2.6 pttm -85.41 -21.13 28.92 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.332 -0.855 . . . . 0.0 109.241 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.848 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 71.3 m-80 -90.05 -9.88 46.91 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.303 -0.873 . . . . 0.0 109.471 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -111.11 135.42 51.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.41 -0.806 . . . . 0.0 108.965 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -80.63 84.85 6.11 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.025 -1.047 . . . . 0.0 109.426 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 m -66.66 -33.34 75.43 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.354 -0.841 . . . . 0.0 109.106 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.533 HH12 ' NH1' ' A' ' 25' ' ' ARG . 0.5 OUTLIER -61.69 -48.28 81.49 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.608 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.568 ' HG3' HD21 ' A' ' 26' ' ' ASN . 13.5 ttt180 -66.66 -46.83 74.44 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.385 -0.822 . . . . 0.0 109.858 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.9 m -63.79 -37.04 85.91 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.14 -0.975 . . . . 0.0 109.182 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD12 ' SG ' ' A' ' 29' ' ' CYS . 32.0 tp -63.08 -50.24 71.34 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.204 -0.935 . . . . 0.0 110.267 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.533 ' NH1' HH12 ' A' ' 21' ' ' ARG . 41.1 ptt180 -65.98 -21.94 66.44 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.064 -1.022 . . . . 0.0 108.818 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.568 HD21 ' HG3' ' A' ' 22' ' ' ARG . 88.0 m-20 -79.95 -2.35 43.52 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.569 -0.707 . . . . 0.0 109.248 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.41 21.29 64.87 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.081 -1.608 . . . . 0.0 109.081 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.414 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 10.1 t0 -58.25 -39.36 78.95 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.399 -1.06 . . . . 0.0 109.292 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.571 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.9 m -67.11 -21.01 65.87 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.309 -0.87 . . . . 0.0 108.668 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -95.13 -0.65 53.18 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.436 -0.79 . . . . 0.0 109.844 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.427 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 64.5 t-20 -96.72 115.67 27.82 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.091 -1.005 . . . . 0.0 108.979 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.563 ' HA ' HD12 ' A' ' 35' ' ' LEU . 82.3 m-20 -59.16 -32.95 70.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.201 -0.937 . . . . 0.0 108.938 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.406 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 63.7 t0 -67.93 -21.99 65.08 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.552 -0.717 . . . . 0.0 110.097 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HG3' ' ND2' ' A' ' 31' ' ' ASN . 18.9 mttt -112.29 -2.13 14.93 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.986 -1.071 . . . . 0.0 110.051 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.8 mt -54.6 -48.22 72.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.982 -1.074 . . . . 0.0 109.409 -179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.6 -39.27 93.43 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.351 -0.843 . . . . 0.0 108.853 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.33 -40.04 89.2 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.531 -0.73 . . . . 0.0 109.051 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.503 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.58 -45.62 65.02 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.245 -0.909 . . . . 0.0 109.6 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.07 -26.4 55.65 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 108.31 -1.916 . . . . 0.0 108.31 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -92.47 -54.01 3.97 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.713 -0.874 . . . . 0.0 110.247 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -82.32 -49.57 9.89 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 111.191 -178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.1 m -130.92 71.08 82.6 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.854 -1.154 . . . . 0.0 111.494 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.85 -33.02 28.01 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.574 2.183 . . . . 0.0 111.359 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 12' ' ' CYS . 65.3 t -79.04 -44.82 24.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.334 -0.854 . . . . 0.0 109.753 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 38.2 m -59.4 -37.78 78.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.298 -0.876 . . . . 0.0 110.901 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 48' ' ' PHE . 61.4 m -86.1 -4.0 59.07 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.917 -1.114 . . . . 0.0 110.455 -178.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.59 36.74 22.25 Favored Glycine 0 N--CA 1.489 2.2 0 C-N-CA 119.798 -1.191 . . . . 0.0 111.19 178.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -106.03 -12.15 15.89 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.992 -1.299 . . . . 0.0 108.158 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.4 m -130.53 166.19 21.1 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 50' ' ' GLU . 4.1 mp0 -103.34 115.22 64.19 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.132 -0.98 . . . . 0.0 109.114 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.31 -1.492 0 C-N-CA 122.388 2.059 . . . . 0.0 112.342 -179.724 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -68.34 137.56 54.72 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.249 -0.907 . . . . 0.0 109.642 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.572 ' O ' HG22 ' A' ' 3' ' ' ILE . 83.4 mt -75.73 -0.93 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.347 -0.846 . . . . 0.0 109.015 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -71.66 0.71 8.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.395 -0.815 . . . . 0.0 109.483 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 t -99.65 -12.99 19.56 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.36 -0.838 . . . . 0.0 109.045 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.561 ' O ' ' O ' ' A' ' 7' ' ' ALA . . . -80.76 -1.19 41.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.367 -0.833 . . . . 0.0 109.329 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.561 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . 55.0 154.1 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.422 -0.799 . . . . 0.0 109.426 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 10' ' ' GLU . 88.0 m-20 -97.05 2.39 51.29 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.167 -0.958 . . . . 0.0 109.124 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.15 18.27 0.08 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.557 -0.714 . . . . 0.0 109.61 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' ASP . 85.2 tt0 -64.98 -32.19 73.79 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.215 -0.928 . . . . 0.0 109.106 179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -103.32 120.52 40.92 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.358 -0.839 . . . . 0.0 108.951 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.5 m -111.22 138.04 48.18 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.322 -0.861 . . . . 0.0 109.459 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.47 151.7 49.76 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.344 -0.848 . . . . 0.0 109.618 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.599 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 52.9 p30 -74.05 140.25 45.25 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.168 -0.958 . . . . 0.0 108.965 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.56 137.35 58.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.019 -1.051 . . . . 0.0 109.702 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -83.97 -24.36 30.67 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.373 -0.829 . . . . 0.0 109.395 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -89.54 -6.18 56.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.277 -0.889 . . . . 0.0 109.66 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -111.27 136.21 50.7 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.35 -0.844 . . . . 0.0 109.239 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -81.92 85.06 6.75 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.278 -0.889 . . . . 0.0 109.058 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.2 m -67.08 -34.42 77.61 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -61.39 -47.89 83.73 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 121.527 0.679 . . . . 0.0 109.244 -179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.552 ' HG3' HD21 ' A' ' 26' ' ' ASN . 23.4 ttt-85 -68.41 -45.54 72.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.251 -0.906 . . . . 0.0 109.348 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m -63.06 -35.23 79.56 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.392 -0.818 . . . . 0.0 109.41 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.594 HD12 ' SG ' ' A' ' 29' ' ' CYS . 33.8 tp -65.8 -50.36 64.97 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.213 -0.929 . . . . 0.0 110.31 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 22.4 ptt180 -67.59 -21.45 65.42 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.165 -0.959 . . . . 0.0 109.109 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.552 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.9 m-20 -78.69 -3.2 42.94 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.41 -0.806 . . . . 0.0 108.918 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.01 21.42 61.17 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.0 t0 -58.38 -41.24 84.37 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.296 -1.12 . . . . 0.0 109.59 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.594 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.1 m -65.01 -20.23 66.4 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.17 -0.956 . . . . 0.0 109.013 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.479 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 59.8 t0 -96.67 -0.61 48.16 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.439 -0.788 . . . . 0.0 110.136 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.501 HD22 ' HE3' ' A' ' 34' ' ' LYS . 57.4 t-20 -98.25 116.32 30.22 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.114 -0.991 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.508 ' HA ' HD12 ' A' ' 35' ' ' LEU . 79.3 m-20 -58.14 -33.53 69.28 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.305 -0.872 . . . . 0.0 108.998 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -67.53 -23.17 65.41 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.625 -0.672 . . . . 0.0 109.981 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.501 ' HE3' HD22 ' A' ' 31' ' ' ASN . 74.5 mttt -113.11 1.49 15.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.067 -1.021 . . . . 0.0 109.775 -179.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.509 HD21 ' O ' ' A' ' 29' ' ' CYS . 13.8 mt -58.71 -43.79 90.18 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.969 -1.082 . . . . 0.0 109.193 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.22 -38.8 88.8 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.323 -0.861 . . . . 0.0 108.705 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -60.7 -40.15 91.19 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.364 -0.835 . . . . 0.0 109.188 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.528 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.38 -47.94 58.58 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.412 -0.805 . . . . 0.0 109.935 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.23 -29.31 56.16 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.466 -1.854 . . . . 0.0 108.466 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 26.0 t80 -93.09 -51.55 4.99 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.542 -0.975 . . . . 0.0 110.351 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -81.1 -51.82 8.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.199 -0.938 . . . . 0.0 111.027 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 5.6 m -131.52 72.04 80.8 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 120.805 -1.185 . . . . 0.0 110.976 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.32 -32.77 32.05 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.61 2.207 . . . . 0.0 111.378 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.8 -44.63 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.583 -0.698 . . . . 0.0 109.732 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.3 m -60.15 -37.99 81.79 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.337 -0.852 . . . . 0.0 111.177 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 65.6 m -86.22 -4.43 59.17 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.871 -1.143 . . . . 0.0 110.783 -178.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.31 35.79 22.5 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.78 -1.2 . . . . 0.0 111.088 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.0 m-30 -107.25 -11.11 15.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.005 -1.291 . . . . 0.0 108.316 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 t -155.39 175.1 14.3 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 120.026 -0.67 . . . . 0.0 109.231 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -106.33 157.94 33.78 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.255 -0.903 . . . . 0.0 109.546 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo . . . . . 0 C--N 1.303 -1.848 0 C-N-CA 122.598 2.198 . . . . 0.0 112.097 179.783 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -71.91 144.41 48.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.265 -0.897 . . . . 0.0 109.18 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 3' ' ' ILE . 71.5 mt -78.16 -4.8 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.035 . . . . 0.0 109.354 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.442 ' HG2' HH11 ' A' ' 4' ' ' ARG . 76.5 mtt-85 -72.48 -2.39 19.44 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.241 -0.912 . . . . 0.0 109.155 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 5' ' ' THR . 1.2 t -78.89 6.25 9.63 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.503 -0.748 . . . . 0.0 109.332 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.46 -3.08 25.3 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.426 -0.796 . . . . 0.0 109.57 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.59 136.08 45.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.268 -0.895 . . . . 0.0 109.987 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.631 ' O ' ' N ' ' A' ' 10' ' ' GLU . 96.8 m-20 -110.21 5.9 22.21 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.273 -0.892 . . . . 0.0 109.795 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 41.78 17.11 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.252 -0.905 . . . . 0.0 109.633 -179.581 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 8' ' ' ASP . 87.7 tt0 -70.21 -6.33 33.74 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.467 -0.771 . . . . 0.0 109.485 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -101.54 123.96 46.43 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.1 -1.0 . . . . 0.0 109.591 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 m -114.74 163.47 15.43 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.03 149.91 47.75 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.777 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.498 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 84.4 m-20 -67.02 134.71 52.48 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.126 -0.984 . . . . 0.0 109.192 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.547 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -60.52 139.17 57.87 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.396 -0.815 . . . . 0.0 109.177 -179.808 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -80.95 -28.23 35.76 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.885 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -87.07 -1.56 57.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.229 -0.919 . . . . 0.0 110.111 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -113.32 131.56 55.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.186 -0.946 . . . . 0.0 108.858 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -80.68 85.86 5.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.251 -0.906 . . . . 0.0 108.986 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.426 ' HB3' HG21 ' A' ' 45' ' ' THR . 10.5 m -68.99 -35.11 76.33 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.507 -0.746 . . . . 0.0 109.664 -179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.48 -47.91 84.06 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.447 -0.783 . . . . 0.0 109.249 -179.767 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.558 ' HG3' HD21 ' A' ' 26' ' ' ASN . 6.6 ttp180 -69.4 -46.22 67.38 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.454 -0.779 . . . . 0.0 109.644 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 m -61.91 -37.11 83.39 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.265 -0.897 . . . . 0.0 109.047 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.683 HD12 ' SG ' ' A' ' 29' ' ' CYS . 24.8 tp -63.67 -49.48 73.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.388 -0.82 . . . . 0.0 110.41 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 43.5 ptt85 -68.5 -19.86 64.55 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.131 -0.981 . . . . 0.0 108.392 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.558 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.5 m-20 -80.2 -1.75 41.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.487 -0.758 . . . . 0.0 109.623 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.45 21.94 63.48 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.254 -1.539 . . . . 0.0 109.254 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.469 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 17.0 t0 -61.28 -41.43 96.93 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.292 -1.122 . . . . 0.0 109.632 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.683 ' SG ' HD12 ' A' ' 24' ' ' LEU . 41.0 m -64.56 -19.28 65.54 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.066 -1.021 . . . . 0.0 109.126 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -97.59 0.74 47.87 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.542 -0.724 . . . . 0.0 110.408 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -99.57 113.98 26.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.972 -1.08 . . . . 0.0 109.896 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.61 ' HA ' HD12 ' A' ' 35' ' ' LEU . 83.7 m-20 -56.35 -32.95 65.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.329 -0.857 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -69.46 -21.83 63.68 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.45 -0.781 . . . . 0.0 110.399 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 15.8 mttt -112.51 -2.43 14.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.954 -1.091 . . . . 0.0 109.712 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.8 mt -55.73 -42.96 76.11 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.044 -1.035 . . . . 0.0 109.33 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.58 -39.15 91.29 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.081 -1.012 . . . . 0.0 108.762 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -61.74 -39.35 91.27 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.41 -0.806 . . . . 0.0 109.14 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.547 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.6 mmt -70.17 -44.93 67.76 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.3 -0.875 . . . . 0.0 109.904 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.3 -27.17 65.01 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 108.707 -1.757 . . . . 0.0 108.707 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 27.6 t80 -94.57 -52.62 4.23 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.688 -0.89 . . . . 0.0 110.097 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.547 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 66.4 m-85 -79.05 -49.99 11.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.185 -0.947 . . . . 0.0 110.813 -178.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.0 m -137.25 74.63 48.23 Favored Pre-proline 0 N--CA 1.488 1.449 0 O-C-N 120.538 -1.351 . . . . 0.0 111.173 -179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.6 -32.62 30.6 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.456 2.104 . . . . 0.0 111.127 178.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.0 t -77.97 -42.41 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.468 -0.77 . . . . 0.0 109.406 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.498 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 68.7 m -59.18 -39.44 82.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.443 -0.786 . . . . 0.0 110.463 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.547 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 62.5 m -86.43 -4.82 59.24 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.092 -1.005 . . . . 0.0 110.95 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.91 36.33 19.09 Favored Glycine 0 N--CA 1.493 2.437 0 C-N-CA 119.823 -1.18 . . . . 0.0 110.792 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.6 m-30 -106.18 -12.33 15.77 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.215 -1.168 . . . . 0.0 107.92 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -130.08 167.69 17.93 Favored 'General case' 0 C--N 1.301 -1.532 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.406 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 50' ' ' GLU . 6.9 mp0 -103.48 113.93 65.25 Favored Pre-proline 0 N--CA 1.494 1.73 0 O-C-N 121.283 -0.886 . . . . 0.0 109.366 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo . . . . . 0 C--N 1.312 -1.391 0 C-N-CA 122.083 1.855 . . . . 0.0 111.751 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.6 m120 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.256 0.551 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -65.01 140.52 58.87 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.307 -0.871 . . . . 0.0 109.23 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 3' ' ' ILE . 74.4 mt -75.13 1.52 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.182 -0.948 . . . . 0.0 109.626 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -78.41 3.58 15.37 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.248 -0.908 . . . . 0.0 108.972 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 t -83.44 -5.9 59.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.432 -0.793 . . . . 0.0 109.487 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.87 -5.63 59.25 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.188 -0.945 . . . . 0.0 109.612 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.59 144.76 51.01 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.193 -0.942 . . . . 0.0 110.097 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 10' ' ' GLU . 56.4 t0 -161.03 1.48 0.06 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.365 -0.834 . . . . 0.0 109.354 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 77.8 mmm 48.69 15.38 0.09 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.348 -0.845 . . . . 0.0 110.006 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 8' ' ' ASP . 84.4 tt0 -81.17 -14.45 57.61 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.297 -0.877 . . . . 0.0 109.364 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -103.52 123.05 46.19 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 121.146 -0.971 . . . . 0.0 109.621 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' O ' HG21 ' A' ' 44' ' ' VAL . 6.5 m -110.07 157.34 19.44 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.16 150.88 49.24 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.941 -1.099 . . . . 0.0 109.87 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.484 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 95.3 m-20 -68.46 133.07 48.07 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.317 -0.864 . . . . 0.0 109.406 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.63 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -59.52 139.94 56.7 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.38 -0.825 . . . . 0.0 109.166 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.734 ' NZ ' HD21 ' A' ' 17' ' ' ASN . 1.3 pttm -86.07 -20.35 28.89 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.301 -0.875 . . . . 0.0 109.498 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.734 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 67.7 m-80 -88.61 -5.17 58.33 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.907 . . . . 0.0 109.401 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -115.12 134.41 55.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.324 -0.86 . . . . 0.0 109.69 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -79.41 85.26 5.22 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.319 -0.863 . . . . 0.0 108.903 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.6 m -68.17 -35.03 77.39 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.384 -0.823 . . . . 0.0 109.598 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.765 ' CZ ' HH21 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -63.5 -48.95 75.5 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.566 -0.709 . . . . 0.0 109.339 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.542 ' HG3' HD21 ' A' ' 26' ' ' ASN . 20.5 ttt-85 -66.13 -45.45 81.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.149 -0.969 . . . . 0.0 109.361 179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.9 m -64.08 -35.83 82.03 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.453 -0.779 . . . . 0.0 109.42 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.585 HD12 ' SG ' ' A' ' 29' ' ' CYS . 31.3 tp -64.33 -48.14 76.72 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.3 -0.875 . . . . 0.0 110.158 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.765 HH21 ' CZ ' ' A' ' 21' ' ' ARG . 8.8 ptp180 -66.3 -24.21 66.51 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.039 -1.038 . . . . 0.0 108.678 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.542 HD21 ' HG3' ' A' ' 22' ' ' ARG . 88.9 m-20 -77.8 -4.51 46.83 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.624 -0.672 . . . . 0.0 109.2 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.6 20.32 62.09 Favored Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.409 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 11.1 t0 -56.55 -39.8 74.05 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.265 -1.138 . . . . 0.0 109.597 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.585 ' SG ' HD12 ' A' ' 24' ' ' LEU . 33.1 m -66.22 -21.08 66.29 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.156 -0.965 . . . . 0.0 108.84 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -94.89 -0.73 53.74 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.396 -0.815 . . . . 0.0 110.098 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -98.96 113.55 25.76 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.038 -1.039 . . . . 0.0 109.284 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.515 ' HA ' HD12 ' A' ' 35' ' ' LEU . 79.0 m-20 -56.16 -34.49 66.21 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.267 -0.896 . . . . 0.0 108.905 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.32 -23.02 66.29 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.557 -0.714 . . . . 0.0 109.997 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -112.52 0.06 15.38 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.114 -0.991 . . . . 0.0 109.882 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.537 HD21 ' O ' ' A' ' 29' ' ' CYS . 14.7 mt -57.66 -44.0 85.39 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.99 -1.068 . . . . 0.0 109.127 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.21 -38.89 91.87 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.212 -0.93 . . . . 0.0 108.731 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.22 -41.41 93.01 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.344 -0.847 . . . . 0.0 108.956 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.563 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.63 -46.75 62.73 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.512 -0.743 . . . . 0.0 110.168 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.56 -27.32 54.25 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 108.434 -1.866 . . . . 0.0 108.434 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 27.1 t80 -95.31 -53.35 3.8 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.775 -0.838 . . . . 0.0 110.231 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.536 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 73.1 m-85 -79.9 -45.44 18.6 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.394 -0.816 . . . . 0.0 111.478 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.4 m -137.49 69.21 53.74 Favored Pre-proline 0 N--CA 1.491 1.616 0 O-C-N 120.715 -1.241 . . . . 0.0 111.051 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.07 -32.14 53.72 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.289 1.993 . . . . 0.0 111.273 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 12' ' ' CYS . 90.9 t -79.95 -45.92 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.471 -0.768 . . . . 0.0 109.989 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.484 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 41.2 m -56.56 -38.47 71.98 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.12 -0.988 . . . . 0.0 110.547 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.563 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 85.6 m -86.32 -8.41 57.73 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.118 -0.989 . . . . 0.0 110.598 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.96 35.03 16.6 Favored Glycine 0 N--CA 1.492 2.383 0 C-N-CA 119.689 -1.244 . . . . 0.0 111.375 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -103.62 -11.09 17.92 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.951 -1.323 . . . . 0.0 107.8 178.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 m -131.2 165.84 22.45 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -101.14 124.86 40.0 Favored Pre-proline 0 C--N 1.299 -1.589 0 O-C-N 121.184 -0.947 . . . . 0.0 109.013 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo . . . . . 0 C--N 1.309 -1.534 0 C-N-CA 122.17 1.913 . . . . 0.0 111.979 -179.905 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.8 m120 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -65.08 141.63 58.66 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.221 -0.925 . . . . 0.0 109.202 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.512 ' O ' HG22 ' A' ' 3' ' ' ILE . 82.0 mt -74.65 -2.93 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.198 -0.939 . . . . 0.0 109.425 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -76.84 -0.03 22.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.339 -0.851 . . . . 0.0 109.318 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 t -75.54 4.91 6.66 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.379 -0.826 . . . . 0.0 109.066 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.29 -1.74 19.13 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.537 -0.727 . . . . 0.0 110.169 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.86 138.39 55.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.975 -1.078 . . . . 0.0 109.467 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.572 ' O ' ' OD1' ' A' ' 8' ' ' ASP . 66.8 t0 -112.08 8.18 19.97 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.298 -0.876 . . . . 0.0 109.396 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.24 21.17 0.18 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.932 . . . . 0.0 109.607 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' ASP . 83.2 tt0 -71.12 -4.14 23.66 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.286 -0.884 . . . . 0.0 109.141 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -106.27 122.91 47.18 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.119 -0.988 . . . . 0.0 109.722 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 70.9 m -106.36 147.2 29.5 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.361 -0.837 . . . . 0.0 109.006 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.08 149.87 47.67 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.231 -0.918 . . . . 0.0 110.227 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.507 ' OD2' ' OG1' ' A' ' 45' ' ' THR . 86.4 m-20 -70.64 140.9 51.69 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.249 -0.907 . . . . 0.0 108.953 179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.601 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -60.79 140.24 57.67 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.207 -0.933 . . . . 0.0 109.633 -179.734 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -83.13 -25.96 31.44 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.391 -0.818 . . . . 0.0 110.034 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -89.05 -3.75 58.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.178 -0.951 . . . . 0.0 110.07 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.431 ' HE1' ' HG ' ' A' ' 23' ' ' SER . 39.8 t80 -110.74 133.96 52.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.366 -0.834 . . . . 0.0 109.265 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -81.48 85.92 6.41 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.001 -1.062 . . . . 0.0 109.255 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.9 m -68.05 -35.63 78.56 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.294 -0.879 . . . . 0.0 109.625 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.457 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.6 -46.56 89.81 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.537 -0.727 . . . . 0.0 109.082 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.674 ' NH1' HD21 ' A' ' 26' ' ' ASN . 7.9 ttt85 -69.04 -45.34 70.66 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.245 -0.909 . . . . 0.0 109.494 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.431 ' HG ' ' HE1' ' A' ' 18' ' ' PHE . 65.0 m -64.62 -35.7 81.87 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.152 -0.967 . . . . 0.0 109.495 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.578 HD12 ' SG ' ' A' ' 29' ' ' CYS . 38.4 tp -65.21 -49.59 69.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.107 -0.996 . . . . 0.0 110.387 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.503 ' NH2' HH11 ' A' ' 22' ' ' ARG . 40.0 ptt85 -66.41 -23.81 66.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.005 -1.06 . . . . 0.0 109.052 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.674 HD21 ' NH1' ' A' ' 22' ' ' ARG . 96.3 m-20 -78.27 -1.76 34.61 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.456 -0.778 . . . . 0.0 109.704 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.49 20.27 64.51 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.375 -1.49 . . . . 0.0 109.375 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 11.9 t0 -57.83 -40.19 79.44 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.33 -1.1 . . . . 0.0 109.628 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.578 ' SG ' HD12 ' A' ' 24' ' ' LEU . 30.6 m -66.19 -21.53 66.32 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.155 -0.966 . . . . 0.0 108.617 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -96.27 0.89 51.54 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.495 -0.753 . . . . 0.0 109.984 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -98.44 115.56 28.79 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.219 -0.926 . . . . 0.0 108.864 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.631 ' HA ' HD12 ' A' ' 35' ' ' LEU . 84.1 m-20 -59.48 -33.15 70.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.213 -0.93 . . . . 0.0 108.925 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -67.2 -25.9 66.35 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.465 -0.772 . . . . 0.0 109.641 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HG3' ' HZ3' ' A' ' 34' ' ' LYS . 9.9 mttm -109.45 -0.45 18.91 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.133 -0.979 . . . . 0.0 109.585 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 32' ' ' ASP . 11.0 mt -55.97 -44.67 78.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.084 -1.01 . . . . 0.0 109.268 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.14 -37.85 86.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.35 -0.844 . . . . 0.0 109.116 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -61.34 -39.74 91.66 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.276 -0.89 . . . . 0.0 109.353 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.546 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.16 -47.4 61.78 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.38 -0.825 . . . . 0.0 110.203 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.29 -28.06 54.09 Favored Glycine 0 N--CA 1.487 2.083 0 N-CA-C 108.181 -1.968 . . . . 0.0 108.181 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 30.1 t80 -95.29 -53.97 3.58 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.602 -0.94 . . . . 0.0 110.697 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.528 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 70.4 m-85 -78.73 -46.55 18.71 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.251 -0.906 . . . . 0.0 110.749 -178.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.483 ' C ' ' O ' ' A' ' 38' ' ' MET . 8.8 m -135.09 71.62 68.4 Favored Pre-proline 0 N--CA 1.488 1.459 0 O-C-N 120.875 -1.141 . . . . 0.0 111.225 -178.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.31 -34.15 28.07 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.395 2.064 . . . . 0.0 111.637 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.1 t -79.95 -43.45 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.452 -0.78 . . . . 0.0 110.298 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.507 ' OG1' ' OD2' ' A' ' 14' ' ' ASP . 33.8 m -59.3 -39.24 82.39 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.092 -1.005 . . . . 0.0 110.385 -179.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.557 ' CB ' ' CE2' ' A' ' 48' ' ' PHE . 69.5 m -85.6 -10.65 55.55 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.992 -1.068 . . . . 0.0 110.127 -179.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.71 37.96 11.18 Favored Glycine 0 N--CA 1.494 2.504 0 O-C-N 120.92 -1.113 . . . . 0.0 112.132 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.557 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 35.7 m-85 -104.3 -14.96 15.6 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.684 -1.48 . . . . 0.0 107.445 177.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -146.02 176.47 9.68 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -102.38 157.8 33.01 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.349 -0.844 . . . . 0.0 109.239 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo . . . . . 0 C--N 1.306 -1.684 0 C-N-CA 122.497 2.132 . . . . 0.0 112.014 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.336 0.588 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -66.53 141.07 58.0 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.158 -0.963 . . . . 0.0 109.748 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.543 ' O ' HG22 ' A' ' 3' ' ' ILE . 87.8 mt -78.67 -4.57 6.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.352 -0.842 . . . . 0.0 109.674 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -76.23 2.12 14.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.122 -0.986 . . . . 0.0 109.447 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 t -85.57 -2.86 58.6 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.533 -0.729 . . . . 0.0 109.078 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.574 ' O ' ' O ' ' A' ' 7' ' ' ALA . . . -79.69 -10.59 59.81 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.366 -0.834 . . . . 0.0 109.82 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.574 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . 54.39 124.62 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.244 -0.91 . . . . 0.0 110.264 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -104.29 2.75 31.85 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.155 -0.966 . . . . 0.0 109.175 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.89 20.41 0.35 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.385 -0.822 . . . . 0.0 109.668 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -66.83 -25.42 66.43 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.608 -0.683 . . . . 0.0 109.583 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -102.57 121.48 42.46 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.245 -0.909 . . . . 0.0 109.771 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 69.1 m -103.28 142.14 34.71 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.554 -0.716 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.55 148.96 46.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.147 -0.971 . . . . 0.0 109.854 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.49 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 82.2 m-20 -71.61 137.52 48.01 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.192 -0.942 . . . . 0.0 108.953 179.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.623 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -61.31 138.75 58.24 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.175 -0.953 . . . . 0.0 109.824 -179.803 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' NZ ' HD21 ' A' ' 17' ' ' ASN . 24.9 pttm -84.16 -24.14 30.32 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.528 -0.733 . . . . 0.0 109.8 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.535 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 71.0 m-80 -86.86 -6.6 58.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.16 -0.963 . . . . 0.0 110.091 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -111.24 134.18 53.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.252 -0.905 . . . . 0.0 109.58 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -79.79 86.67 5.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.956 -1.09 . . . . 0.0 108.609 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.8 m -71.78 -33.72 68.83 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.451 -0.781 . . . . 0.0 109.84 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -62.66 -49.86 73.48 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.349 -0.844 . . . . 0.0 108.85 -179.825 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.526 ' HG3' HD21 ' A' ' 26' ' ' ASN . 19.4 ttt-85 -66.94 -44.42 80.67 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.201 -0.937 . . . . 0.0 109.567 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.8 m -63.18 -36.21 82.88 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.237 -0.914 . . . . 0.0 109.565 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.814 HD12 HG22 ' A' ' 45' ' ' THR . 5.1 tt -63.6 -50.17 70.44 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.911 -1.118 . . . . 0.0 110.193 -179.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 44.5 ptt85 -66.67 -23.81 66.19 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.885 -1.134 . . . . 0.0 108.796 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.526 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.7 m-20 -75.16 -2.9 29.89 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.54 -0.725 . . . . 0.0 109.254 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.03 13.52 74.36 Favored Glycine 0 N--CA 1.484 1.898 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -56.5 -40.72 75.45 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 120.994 -1.298 . . . . 0.0 109.16 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.427 ' O ' HD21 ' A' ' 35' ' ' LEU . 54.2 m -67.99 -22.01 65.03 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -96.72 2.64 52.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.578 -0.701 . . . . 0.0 110.195 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.49 HD22 ' HE3' ' A' ' 34' ' ' LYS . 55.5 t-20 -100.34 112.12 24.44 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.044 -1.035 . . . . 0.0 108.951 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.581 ' HA ' HD12 ' A' ' 35' ' ' LEU . 55.6 t0 -55.89 -34.13 65.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.312 -0.867 . . . . 0.0 109.491 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -65.89 -25.39 67.14 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.458 -0.776 . . . . 0.0 109.766 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HE3' HD22 ' A' ' 31' ' ' ASN . 26.3 mttt -109.9 -0.74 18.12 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.277 -0.889 . . . . 0.0 109.929 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.7 mt -56.69 -45.99 81.46 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.109 -0.994 . . . . 0.0 109.366 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.0 tt -65.16 -39.49 93.02 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.046 -1.034 . . . . 0.0 108.495 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -60.99 -39.84 91.22 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.342 -0.849 . . . . 0.0 109.291 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.55 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 37.3 mmt -70.43 -45.43 65.89 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.977 -1.077 . . . . 0.0 109.422 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.52 -25.59 42.69 Favored Glycine 0 N--CA 1.484 1.875 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 21.6 t80 -94.65 -53.6 3.82 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.579 -0.954 . . . . 0.0 110.318 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.536 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 63.9 m-85 -80.33 -47.21 14.84 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.0 -1.062 . . . . 0.0 111.25 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 m -134.18 71.05 73.34 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 120.837 -1.165 . . . . 0.0 111.204 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.32 -35.15 24.98 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.448 2.099 . . . . 0.0 111.946 179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -77.83 -43.98 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.462 0 O-C-N 121.191 -0.943 . . . . 0.0 109.835 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.814 HG22 HD12 ' A' ' 24' ' ' LEU . 65.5 m -59.92 -37.79 80.47 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.392 -0.818 . . . . 0.0 110.897 -179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 97.3 m -86.57 0.05 55.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.893 -1.129 . . . . 0.0 110.621 -178.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.97 35.72 38.2 Favored Glycine 0 N--CA 1.495 2.59 0 C-N-CA 119.852 -1.166 . . . . 0.0 111.748 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 12.2 m-30 -108.12 -12.83 15.05 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.953 -1.322 . . . . 0.0 108.322 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.4 t -151.99 172.54 16.1 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.397 -0.814 . . . . 0.0 109.497 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.622 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 1.1 mp0 -101.35 155.06 36.8 Favored Pre-proline 0 C--N 1.3 -1.561 0 O-C-N 121.609 -0.682 . . . . 0.0 109.541 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo . . . . . 0 C--N 1.305 -1.754 0 C-N-CA 122.516 2.144 . . . . 0.0 111.591 179.634 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.554 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 58.5 p30 -74.76 144.12 43.76 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.197 -0.94 . . . . 0.0 109.554 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.503 ' O ' HG22 ' A' ' 3' ' ' ILE . 77.2 mt -78.63 -1.71 4.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 121.345 -0.847 . . . . 0.0 109.307 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -79.08 1.14 25.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.122 -0.986 . . . . 0.0 108.906 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.0 t -77.68 0.59 22.82 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.331 -0.856 . . . . 0.0 108.903 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -100.81 28.05 5.49 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.438 -0.789 . . . . 0.0 109.524 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.7 141.57 37.56 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.151 -0.968 . . . . 0.0 109.549 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' A' ' 10' ' ' GLU . 89.4 m-20 -109.83 14.44 23.19 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 68.5 mmm -65.97 14.66 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.253 -0.904 . . . . 0.0 110.389 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' A' ' 8' ' ' ASP . 84.5 tt0 -74.6 -24.45 58.88 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 119.218 -0.993 . . . . 0.0 109.484 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -102.26 122.5 44.33 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.197 -0.939 . . . . 0.0 109.165 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.2 m -89.32 134.35 34.1 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.404 -0.81 . . . . 0.0 109.117 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.55 149.87 48.33 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.283 -0.886 . . . . 0.0 109.946 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.482 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 80.5 m-20 -70.74 140.02 51.25 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.22 -0.925 . . . . 0.0 109.293 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.61 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -61.33 139.14 58.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.266 -0.896 . . . . 0.0 109.446 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.717 ' HZ3' ' ND2' ' A' ' 17' ' ' ASN . 18.2 pttm -84.52 -25.62 28.66 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.376 -0.827 . . . . 0.0 110.056 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.717 ' ND2' ' HZ3' ' A' ' 16' ' ' LYS . 79.5 m-20 -91.37 1.01 57.43 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.192 -0.942 . . . . 0.0 110.052 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -113.79 131.26 56.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.192 -0.943 . . . . 0.0 109.568 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -79.88 85.74 5.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.164 -0.96 . . . . 0.0 108.845 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.7 m -70.12 -34.62 73.32 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.429 -0.795 . . . . 0.0 109.757 -179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.432 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.18 -42.9 87.08 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.569 ' HG3' HD21 ' A' ' 26' ' ' ASN . 15.0 ttt-85 -68.17 -47.22 68.58 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.499 -0.751 . . . . 0.0 109.424 179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 78.5 p -67.39 -34.79 78.0 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.449 -0.782 . . . . 0.0 108.973 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.649 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.1 tp -66.39 -48.7 69.27 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.29 -0.881 . . . . 0.0 110.384 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 35.0 ptt180 -69.53 -23.17 63.55 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.274 -0.891 . . . . 0.0 109.258 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.569 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.0 m-20 -79.83 -1.37 38.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.481 -0.762 . . . . 0.0 109.39 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.52 23.43 58.37 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 108.855 -1.698 . . . . 0.0 108.855 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 23' ' ' SER . 16.4 t0 -60.96 -38.65 86.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.415 -1.05 . . . . 0.0 109.578 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.649 ' SG ' HD12 ' A' ' 24' ' ' LEU . 22.8 m -67.32 -18.72 65.29 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.213 -0.929 . . . . 0.0 108.599 179.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -96.79 1.6 50.96 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.573 -0.704 . . . . 0.0 110.033 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.414 HD22 ' HE3' ' A' ' 34' ' ' LYS . 55.8 t-20 -101.94 115.06 29.73 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.084 -1.01 . . . . 0.0 109.84 -179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.595 ' HA ' HD12 ' A' ' 35' ' ' LEU . 91.1 m-20 -56.31 -34.03 66.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.462 -0.774 . . . . 0.0 109.092 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -67.48 -24.05 65.55 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.644 -0.66 . . . . 0.0 109.781 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HE3' HD22 ' A' ' 31' ' ' ASN . 36.8 mttt -112.3 -0.4 15.45 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.182 -0.949 . . . . 0.0 109.908 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.7 mt -56.0 -44.29 78.51 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.086 -1.009 . . . . 0.0 109.26 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.7 -38.76 90.13 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.405 -0.809 . . . . 0.0 109.155 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -61.25 -39.73 91.43 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.475 -0.766 . . . . 0.0 109.189 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.55 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -71.41 -47.01 58.72 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.525 -0.734 . . . . 0.0 109.741 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.29 -28.55 50.44 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 108.341 -1.904 . . . . 0.0 108.341 179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -94.93 -56.12 2.86 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.796 -0.826 . . . . 0.0 110.834 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.556 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 68.2 m-85 -76.23 -43.95 39.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.249 -0.907 . . . . 0.0 110.784 -178.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.457 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.3 m -140.45 72.76 30.98 Favored Pre-proline 0 N--CA 1.488 1.474 0 O-C-N 120.685 -1.259 . . . . 0.0 110.974 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -66.9 -33.54 32.86 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 122.381 2.054 . . . . 0.0 111.406 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' HB ' ' OD1' ' A' ' 14' ' ' ASP . 94.3 t -80.25 -43.12 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.472 -0.767 . . . . 0.0 109.5 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.482 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 54.1 m -58.01 -38.82 76.87 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.263 -0.898 . . . . 0.0 110.605 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.4 m -86.83 -8.77 57.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.053 -1.029 . . . . 0.0 110.658 -178.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.3 34.79 13.36 Favored Glycine 0 N--CA 1.493 2.453 0 C-N-CA 119.77 -1.205 . . . . 0.0 112.313 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 34.0 m-85 -102.97 -14.85 16.32 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.558 -1.554 . . . . 0.0 107.562 177.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 t -149.88 176.03 11.11 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -105.12 160.17 26.9 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.327 -0.858 . . . . 0.0 109.67 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 N--CA 1.493 1.482 0 C-N-CA 122.72 2.28 . . . . 0.0 112.089 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.3 0.571 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -65.08 147.84 52.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.226 -0.921 . . . . 0.0 109.409 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.515 ' O ' HG22 ' A' ' 3' ' ' ILE . 70.9 mt -73.64 -2.98 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.125 -0.984 . . . . 0.0 109.474 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -78.26 7.34 6.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.199 -0.938 . . . . 0.0 109.263 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -74.82 2.58 9.84 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.281 -0.887 . . . . 0.0 109.515 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.63 1.58 11.86 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.344 -0.848 . . . . 0.0 109.604 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.94 142.44 53.73 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.124 -0.985 . . . . 0.0 109.702 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.596 ' C ' ' H ' ' A' ' 10' ' ' GLU . 50.2 p30 -106.9 15.52 25.35 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.291 -0.881 . . . . 0.0 109.054 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.4 mmm -65.19 14.19 0.03 OUTLIER 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.414 -0.804 . . . . 0.0 109.828 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.596 ' H ' ' C ' ' A' ' 8' ' ' ASP . 51.4 tp10 -77.92 -17.55 57.13 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.495 -0.753 . . . . 0.0 109.378 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -100.06 124.55 45.55 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.165 -0.96 . . . . 0.0 109.032 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.4 m -110.32 155.23 22.38 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.56 151.49 49.44 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.163 -0.961 . . . . 0.0 109.872 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.489 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 87.0 m-20 -69.18 138.72 54.34 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.204 -0.935 . . . . 0.0 109.184 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.591 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -62.19 138.49 58.42 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.233 -0.917 . . . . 0.0 109.472 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HE2' HD21 ' A' ' 17' ' ' ASN . 3.3 pttm -82.41 -29.22 30.91 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.211 -0.93 . . . . 0.0 109.623 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.436 HD21 ' HE2' ' A' ' 16' ' ' LYS . 79.2 m-20 -86.47 -1.71 57.82 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.337 -0.852 . . . . 0.0 109.613 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -113.54 129.86 56.47 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.269 -0.894 . . . . 0.0 109.932 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -80.41 85.02 5.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.271 -0.893 . . . . 0.0 109.083 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.8 m -67.6 -35.8 79.67 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.646 0.736 . . . . 0.0 109.266 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.727 ' NH1' ' NH1' ' A' ' 25' ' ' ARG . 1.2 tmt_? -57.04 -42.19 80.04 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HG3' HD21 ' A' ' 26' ' ' ASN . 11.5 ttt180 -69.4 -47.18 64.99 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.493 -0.754 . . . . 0.0 109.646 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 79.4 p -66.45 -34.57 78.24 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.176 -0.952 . . . . 0.0 109.444 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD12 ' SG ' ' A' ' 29' ' ' CYS . 38.3 tp -67.63 -48.09 67.72 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.172 -0.955 . . . . 0.0 110.49 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.727 ' NH1' ' NH1' ' A' ' 21' ' ' ARG . 41.2 ptt180 -68.47 -22.79 64.55 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 108.992 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.489 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.2 m-20 -80.8 -0.67 39.73 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.437 -0.789 . . . . 0.0 109.286 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.02 23.4 63.78 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.025 -1.63 . . . . 0.0 109.025 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 23' ' ' SER . 13.8 t0 -60.06 -40.14 88.44 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.367 -1.078 . . . . 0.0 109.58 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.539 ' SG ' HD12 ' A' ' 24' ' ' LEU . 28.8 m -64.46 -19.96 65.88 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -95.98 -3.51 44.91 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.385 -0.822 . . . . 0.0 110.063 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -94.66 116.12 28.37 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.983 -1.073 . . . . 0.0 109.354 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.627 ' HA ' HD12 ' A' ' 35' ' ' LEU . 90.1 m-20 -57.57 -33.69 68.42 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.327 -0.858 . . . . 0.0 109.119 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.94 -27.19 67.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.478 -0.764 . . . . 0.0 109.957 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -107.63 -0.82 21.69 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.227 -0.921 . . . . 0.0 109.48 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 32' ' ' ASP . 10.3 mt -53.84 -47.98 70.41 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.482 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -65.17 -38.55 90.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.219 -0.926 . . . . 0.0 109.176 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -58.87 -40.5 84.53 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.365 -0.834 . . . . 0.0 109.483 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.588 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.1 mmt -70.28 -47.05 62.99 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.37 -0.831 . . . . 0.0 110.057 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.51 -28.25 50.59 Favored Glycine 0 N--CA 1.485 1.912 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 40.7 t80 -94.75 -55.49 3.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.642 -0.917 . . . . 0.0 110.576 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.591 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 61.4 m-85 -76.03 -44.28 40.06 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.326 -0.859 . . . . 0.0 111.337 -178.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.6 m -139.89 69.73 36.23 Favored Pre-proline 0 C--N 1.3 -1.559 0 O-C-N 120.682 -1.261 . . . . 0.0 111.084 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -64.24 -33.09 61.22 Favored 'Trans proline' 0 C--N 1.301 -1.937 0 C-N-CA 122.465 2.11 . . . . 0.0 111.958 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.8 t -81.01 -42.61 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.142 -0.974 . . . . 0.0 109.973 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.489 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 62.4 m -59.51 -37.71 79.02 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.245 -0.909 . . . . 0.0 110.791 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.9 m -86.06 -9.76 56.17 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.878 -1.139 . . . . 0.0 110.74 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.09 35.0 10.09 Favored Glycine 0 N--CA 1.492 2.401 0 C-N-CA 119.638 -1.268 . . . . 0.0 111.891 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.494 ' CE2' ' CB ' ' A' ' 46' ' ' CYS . 46.0 m-85 -102.89 -16.19 15.96 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.668 -1.489 . . . . 0.0 107.527 178.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 m -126.11 165.65 18.48 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -102.05 123.1 44.72 Favored Pre-proline 0 C--N 1.301 -1.504 0 O-C-N 121.333 -0.855 . . . . 0.0 108.756 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 C--N 1.311 -1.404 0 C-N-CA 122.172 1.915 . . . . 0.0 112.208 -179.534 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 61.7 t30 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -70.25 140.48 52.4 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.245 -0.91 . . . . 0.0 109.491 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.556 ' O ' HG22 ' A' ' 3' ' ' ILE . 83.4 mt -75.41 1.28 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.303 -0.873 . . . . 0.0 109.469 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -72.96 -1.14 15.86 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.322 -0.861 . . . . 0.0 108.863 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 t -90.56 -2.78 57.89 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.299 -0.876 . . . . 0.0 109.712 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.51 ' O ' ' O ' ' A' ' 7' ' ' ALA . . . -101.14 24.46 9.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.373 179.594 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.51 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . 48.83 -179.89 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.181 -0.949 . . . . 0.0 108.891 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -103.01 10.99 37.87 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.313 -0.867 . . . . 0.0 109.061 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.95 11.98 29.94 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.39 -0.819 . . . . 0.0 109.634 -179.774 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -69.46 -25.43 64.09 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.59 -0.694 . . . . 0.0 109.475 179.603 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -103.61 121.85 43.77 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.333 -0.854 . . . . 0.0 109.697 -179.198 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.1 m -110.74 139.69 45.81 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.9 148.38 47.0 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.083 -1.01 . . . . 0.0 110.132 -179.668 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.572 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.6 p30 -72.54 137.44 46.25 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.277 -0.889 . . . . 0.0 108.629 178.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.4 OUTLIER -61.51 140.63 58.06 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.21 -0.931 . . . . 0.0 109.868 -179.05 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -87.76 -29.07 21.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.324 -0.86 . . . . 0.0 109.492 179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -82.87 -4.93 58.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.257 -0.902 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -110.94 133.75 53.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.368 -0.832 . . . . 0.0 108.938 179.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -79.5 84.8 5.33 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.029 -1.045 . . . . 0.0 108.502 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 m -70.82 -36.15 72.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.373 -0.829 . . . . 0.0 109.292 -179.473 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -60.24 -46.21 90.55 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.435 -0.791 . . . . 0.0 108.97 179.758 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.753 ' HE ' HH21 ' A' ' 25' ' ' ARG . 11.5 ttm180 -69.69 -45.93 67.19 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.056 -1.028 . . . . 0.0 109.497 179.587 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -61.9 -36.09 80.28 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.33 -0.857 . . . . 0.0 109.277 179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.619 HD12 ' SG ' ' A' ' 29' ' ' CYS . 35.9 tp -64.4 -50.35 67.97 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 0.0 110.408 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.753 HH21 ' HE ' ' A' ' 22' ' ' ARG . 27.1 ptt180 -67.32 -21.14 65.68 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.142 -0.974 . . . . 0.0 109.167 -179.597 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.556 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.7 m-20 -79.01 -2.7 41.49 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.508 -0.745 . . . . 0.0 109.295 179.498 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.7 21.09 62.36 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.332 -1.507 . . . . 0.0 109.332 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 14.8 t0 -59.77 -40.4 88.09 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.225 -1.162 . . . . 0.0 109.796 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.619 ' SG ' HD12 ' A' ' 24' ' ' LEU . 28.8 m -66.39 -21.49 66.23 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.08 -1.013 . . . . 0.0 108.563 179.397 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.7 -0.51 54.27 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.352 -0.843 . . . . 0.0 109.846 -179.768 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -97.43 113.56 25.26 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.978 -1.076 . . . . 0.0 108.726 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.6 ' HA ' HD12 ' A' ' 35' ' ' LEU . 76.1 m-20 -57.4 -34.15 68.6 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.269 -0.894 . . . . 0.0 109.173 -179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -66.72 -25.36 66.49 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.386 -0.821 . . . . 0.0 109.763 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 62.5 mttt -109.1 0.28 19.77 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.052 -1.03 . . . . 0.0 109.592 -179.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.1 mt -57.01 -45.14 83.25 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.136 -0.978 . . . . 0.0 109.346 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.36 -39.38 92.26 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 0.0 108.811 178.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -59.67 -39.59 84.97 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.322 -0.861 . . . . 0.0 109.18 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.589 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -70.71 -45.27 65.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.475 -0.766 . . . . 0.0 110.106 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.77 -28.66 60.59 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 108.475 -1.85 . . . . 0.0 108.475 179.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -93.81 -54.25 3.69 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.889 -0.771 . . . . 0.0 110.471 -179.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.59 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 63.9 m-85 -77.53 -48.86 15.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.128 -0.982 . . . . 0.0 110.957 -179.1 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.4 m -136.32 73.52 56.74 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 120.69 -1.256 . . . . 0.0 111.107 -178.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -67.1 -35.85 23.85 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.575 2.183 . . . . 0.0 111.647 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.6 t -76.18 -42.85 37.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 CA-C-O 121.47 0.652 . . . . 0.0 109.495 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.1 m -59.39 -39.27 82.85 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.324 -0.86 . . . . 0.0 110.601 -179.269 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 75.6 m -86.9 -1.27 57.69 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.217 -0.927 . . . . 0.0 110.482 -178.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.15 36.13 36.17 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.953 -1.118 . . . . 0.0 110.906 178.671 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.1 m-30 -105.14 -12.61 16.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.976 -1.309 . . . . 0.0 108.027 178.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 t -154.41 175.02 14.08 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.321 179.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -110.26 151.39 42.57 Favored Pre-proline 0 N--CA 1.488 1.438 0 O-C-N 121.374 -0.828 . . . . 0.0 109.117 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo . . . . . 0 C--N 1.308 -1.564 0 C-N-CA 122.292 1.995 . . . . 0.0 111.999 179.994 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.51 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 53.6 p30 -71.87 154.06 41.49 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 109.758 -179.792 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.432 ' O ' HG22 ' A' ' 3' ' ' ILE . 33.0 mm -80.67 -4.91 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.412 -0.805 . . . . 0.0 109.384 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -76.88 0.96 18.97 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.197 -0.939 . . . . 0.0 109.606 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.4 t -76.67 1.18 17.76 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.335 -0.853 . . . . 0.0 109.441 -179.661 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.75 -5.88 56.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.371 -0.831 . . . . 0.0 109.488 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.23 142.34 52.38 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.315 -0.866 . . . . 0.0 109.719 -179.69 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -106.95 10.5 30.45 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 179.07 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 62.3 mmm -86.76 15.01 6.17 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.569 -0.707 . . . . 0.0 110.081 -179.182 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -70.47 -20.68 62.86 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.303 -0.873 . . . . 0.0 109.68 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -98.72 121.69 41.0 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.293 -0.879 . . . . 0.0 108.933 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.4 m -112.17 142.73 44.28 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.474 -0.766 . . . . 0.0 109.199 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.61 150.26 48.45 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.304 -0.872 . . . . 0.0 109.393 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.56 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.8 p30 -74.11 151.95 40.0 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.267 -0.896 . . . . 0.0 108.809 179.356 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.3 132.2 46.06 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.018 -1.051 . . . . 0.0 110.018 -179.484 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' NZ ' HD21 ' A' ' 17' ' ' ASN . 25.9 pttm -79.85 -23.81 41.72 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.261 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.478 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 79.5 m-20 -90.41 -9.9 45.85 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.59 -0.694 . . . . 0.0 110.058 -179.398 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -108.6 129.97 55.31 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 179.269 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -76.48 84.97 3.2 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.137 -0.977 . . . . 0.0 109.452 -179.68 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.4 m -67.86 -34.46 76.74 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.35 -45.25 88.53 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.391 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.497 ' HG3' HD21 ' A' ' 26' ' ' ASN . 15.1 ttt-85 -66.31 -46.06 78.22 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.407 -0.808 . . . . 0.0 109.697 179.432 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.3 p -68.22 -34.1 75.63 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.186 -0.946 . . . . 0.0 109.532 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.644 HD12 ' SG ' ' A' ' 29' ' ' CYS . 27.7 tp -66.09 -49.7 66.66 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.2 -0.937 . . . . 0.0 110.536 -179.559 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 23.0 ptt180 -67.09 -20.74 65.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.111 -0.993 . . . . 0.0 109.287 -179.444 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.497 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.3 m-20 -82.27 -2.3 52.17 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.537 -0.727 . . . . 0.0 109.337 179.724 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.48 21.49 62.08 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.422 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.0 t0 -57.73 -39.63 77.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.294 -1.121 . . . . 0.0 109.384 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.644 ' SG ' HD12 ' A' ' 24' ' ' LEU . 33.6 m -64.47 -21.58 66.71 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.23 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -96.86 -1.13 46.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.657 -0.652 . . . . 0.0 110.098 -179.441 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.439 HD22 ' HE2' ' A' ' 34' ' ' LYS . 57.0 t-20 -95.84 114.1 25.79 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.094 -1.004 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.606 ' HA ' HD12 ' A' ' 35' ' ' LEU . 93.2 m-20 -56.64 -34.3 67.17 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.192 -0.942 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.476 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 66.5 t0 -67.22 -22.4 65.71 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.44 -0.788 . . . . 0.0 110.01 -179.555 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HE2' HD22 ' A' ' 31' ' ' ASN . 13.2 mttm -112.96 -1.05 14.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.151 -0.968 . . . . 0.0 109.816 -179.286 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.2 mt -54.09 -45.83 71.89 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.079 -1.013 . . . . 0.0 109.433 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.05 -37.22 83.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.255 -0.903 . . . . 0.0 109.324 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.19 -39.45 92.78 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.192 -0.943 . . . . 0.0 109.28 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.537 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.0 mmt -70.99 -48.81 51.17 Favored 'General case' 0 C--N 1.304 -1.412 0 C-N-CA 119.955 -0.698 . . . . 0.0 109.44 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -54.61 -28.03 44.24 Favored Glycine 0 N--CA 1.482 1.76 0 N-CA-C 108.391 -1.884 . . . . 0.0 108.391 179.475 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -94.51 -56.04 2.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.62 -0.929 . . . . 0.0 110.399 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -77.67 -45.21 25.61 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.099 -1.001 . . . . 0.0 110.917 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.466 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.1 m -134.56 71.14 71.61 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 120.854 -1.154 . . . . 0.0 111.442 -178.681 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -67.08 -33.29 32.22 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.378 2.052 . . . . 0.0 111.435 178.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.6 t -80.33 -45.48 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.374 -0.829 . . . . 0.0 110.101 -179.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.0 m -57.84 -38.71 76.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.232 -0.918 . . . . 0.0 110.457 -179.005 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 65.1 m -86.04 -11.53 52.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.942 -1.098 . . . . 0.0 110.469 -179.085 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.71 35.97 10.98 Favored Glycine 0 N--CA 1.494 2.524 0 C-N-CA 119.807 -1.187 . . . . 0.0 112.098 178.198 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 46' ' ' CYS . 47.7 m-85 -102.31 -14.93 16.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.626 -1.514 . . . . 0.0 107.696 177.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 t -144.25 175.46 10.07 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.625 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 0.4 OUTLIER -100.84 156.96 34.55 Favored Pre-proline 0 C--N 1.299 -1.589 0 O-C-N 121.366 -0.834 . . . . 0.0 109.181 -179.92 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo . . . . . 0 C--N 1.308 -1.593 0 C-N-CA 122.539 2.16 . . . . 0.0 111.789 179.745 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.237 0.541 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -69.76 147.85 49.93 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.19 -0.944 . . . . 0.0 109.313 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.639 ' O ' HG22 ' A' ' 3' ' ' ILE . 86.3 mt -76.64 2.91 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.154 -0.966 . . . . 0.0 109.611 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -75.92 -0.94 23.16 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.335 -0.853 . . . . 0.0 109.182 -179.696 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -86.18 2.54 46.52 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.266 -0.896 . . . . 0.0 109.193 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.2 -10.21 59.48 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.285 -0.884 . . . . 0.0 109.579 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.64 138.77 58.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.336 -0.853 . . . . 0.0 109.39 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 10' ' ' GLU . 80.8 m-20 -110.04 9.72 24.17 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.185 -0.947 . . . . 0.0 109.327 179.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 49.95 17.84 0.32 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.331 -0.856 . . . . 0.0 109.577 -179.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 85.1 tt0 -73.62 -6.7 48.33 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.174 -0.953 . . . . 0.0 108.747 179.36 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -103.15 126.64 50.41 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.337 -0.852 . . . . 0.0 109.734 -179.352 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 51' ' ' PRO . 65.8 m -107.2 153.43 22.69 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.301 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.61 150.98 47.85 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.124 -0.985 . . . . 0.0 109.964 -179.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.493 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 78.5 m-20 -72.51 138.44 46.98 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.129 -0.982 . . . . 0.0 109.06 179.514 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.553 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -57.2 139.54 52.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.198 -0.938 . . . . 0.0 109.318 -179.85 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -85.71 -25.61 26.39 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.446 -0.784 . . . . 0.0 109.619 -179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -88.95 -2.74 58.73 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.298 -0.876 . . . . 0.0 109.614 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -113.09 129.03 56.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.282 -0.886 . . . . 0.0 109.403 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.516 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 25.7 p30 -77.96 84.95 4.22 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.229 -0.919 . . . . 0.0 109.056 179.361 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.498 ' HB3' HG21 ' A' ' 45' ' ' THR . 22.7 m -68.0 -33.57 74.87 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.294 -0.879 . . . . 0.0 109.47 -179.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -58.92 -43.68 91.17 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.394 -0.816 . . . . 0.0 108.863 -179.84 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.69 ' CZ ' HH21 ' A' ' 25' ' ' ARG . 14.6 ttm-85 -68.78 -47.48 66.06 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.367 -0.833 . . . . 0.0 109.417 179.647 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.6 p -64.85 -36.03 83.04 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.381 -0.824 . . . . 0.0 109.211 179.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.596 HD12 ' SG ' ' A' ' 29' ' ' CYS . 28.5 tp -63.9 -50.48 68.55 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 110.238 -179.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.69 HH21 ' CZ ' ' A' ' 22' ' ' ARG . 47.1 ptt85 -67.63 -21.94 65.36 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.061 -1.024 . . . . 0.0 109.074 -179.659 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.549 HD21 ' HG3' ' A' ' 22' ' ' ARG . 97.3 m-20 -79.86 -2.57 44.13 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.456 -0.778 . . . . 0.0 109.265 179.691 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.09 21.16 61.47 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 11.5 t0 -58.69 -38.92 79.28 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.166 -1.196 . . . . 0.0 109.266 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.596 ' SG ' HD12 ' A' ' 24' ' ' LEU . 48.6 m -66.35 -18.24 65.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.147 -0.971 . . . . 0.0 108.774 179.311 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -98.92 -1.39 40.13 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.372 -0.83 . . . . 0.0 110.019 -179.612 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.51 HD22 ' HE3' ' A' ' 34' ' ' LYS . 53.2 t-20 -96.9 113.84 25.42 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.231 -0.918 . . . . 0.0 109.133 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.588 ' HA ' HD12 ' A' ' 35' ' ' LEU . 72.3 m-20 -56.41 -33.56 65.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.216 -0.928 . . . . 0.0 109.6 -179.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -66.99 -24.59 66.05 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.24 -0.913 . . . . 0.0 110.125 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' HE3' HD22 ' A' ' 31' ' ' ASN . 42.0 mttt -109.07 -5.57 15.97 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.138 -0.976 . . . . 0.0 109.779 -178.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.8 mt -52.37 -46.35 66.14 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.278 -0.889 . . . . 0.0 109.199 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -66.66 -40.25 88.54 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.289 -0.882 . . . . 0.0 109.256 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -60.75 -38.33 84.8 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.336 -0.852 . . . . 0.0 109.285 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.544 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.4 mmt -70.87 -46.32 62.85 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.297 -0.877 . . . . 0.0 109.834 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.87 -23.39 45.18 Favored Glycine 0 N--CA 1.484 1.888 0 N-CA-C 107.567 -2.213 . . . . 0.0 107.567 179.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 34.1 t80 -95.06 -57.22 2.49 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.935 -0.744 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.553 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 65.8 m-85 -78.67 -45.01 22.36 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.298 -0.876 . . . . 0.0 111.281 -178.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 38' ' ' MET . 4.3 m -136.82 74.33 51.68 Favored Pre-proline 0 N--CA 1.49 1.532 0 O-C-N 120.72 -1.238 . . . . 0.0 110.845 -178.765 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.15 -35.07 20.5 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.394 2.063 . . . . 0.0 111.54 179.299 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.429 ' HB ' ' OD1' ' A' ' 14' ' ' ASP . 87.2 t -78.47 -43.98 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.261 -0.899 . . . . 0.0 109.122 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.498 HG21 ' HB3' ' A' ' 20' ' ' CYS . 52.9 m -54.81 -40.95 70.06 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.335 -0.853 . . . . 0.0 110.309 -179.544 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.544 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.2 m -87.03 -1.86 58.2 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.121 -0.987 . . . . 0.0 110.564 -178.894 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.4 34.78 39.32 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.042 178.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.5 m-30 -103.73 -10.5 18.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.936 -1.332 . . . . 0.0 107.943 178.54 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.421 ' SG ' ' OE2' ' A' ' 50' ' ' GLU . 4.8 t -153.18 176.25 12.14 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.261 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.467 ' O ' ' OXT' ' A' ' 51' ' ' PRO . 1.4 pm0 -107.42 151.89 41.1 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.331 -0.856 . . . . 0.0 109.425 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.467 ' OXT' ' O ' ' A' ' 50' ' ' GLU . 36.1 Cg_exo . . . . . 0 C--N 1.306 -1.659 0 C-N-CA 122.298 1.998 . . . . 0.0 112.089 179.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -69.06 141.36 54.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.314 -0.866 . . . . 0.0 109.59 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.553 ' O ' HG22 ' A' ' 3' ' ' ILE . 76.1 mt -75.96 -1.8 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.222 -0.924 . . . . 0.0 109.665 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -80.59 4.51 18.29 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.064 -1.023 . . . . 0.0 108.834 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.8 t -81.07 -0.06 38.21 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.389 -0.819 . . . . 0.0 109.598 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.08 -26.37 67.45 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.18 -0.95 . . . . 0.0 109.478 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.42 147.55 53.23 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.349 -0.844 . . . . 0.0 109.489 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -89.06 8.62 28.87 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.185 -0.947 . . . . 0.0 108.565 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.49 17.51 1.08 Allowed 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.4 0.619 . . . . 0.0 109.671 -179.387 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -65.61 -16.95 64.21 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.461 -0.775 . . . . 0.0 109.075 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -100.06 118.77 37.13 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.299 -0.876 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.8 m -108.52 147.05 32.29 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.11 152.8 50.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.061 -1.024 . . . . 0.0 109.372 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.586 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.2 p30 -76.09 141.91 41.87 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.149 -0.97 . . . . 0.0 108.903 179.363 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.583 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -64.0 137.75 58.14 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.231 -0.918 . . . . 0.0 109.897 -179.23 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -84.15 -30.72 25.64 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.397 -0.815 . . . . 0.0 109.665 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -83.19 -5.26 59.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.287 -0.883 . . . . 0.0 109.918 -179.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -112.2 131.96 55.18 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.447 -0.783 . . . . 0.0 109.122 179.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -80.96 87.93 5.95 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.347 -0.846 . . . . 0.0 109.433 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.8 m -70.29 -37.93 74.93 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.207 -0.933 . . . . 0.0 109.621 -179.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -55.22 -42.36 73.25 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.73 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.665 HH11 ' NH2' ' A' ' 25' ' ' ARG . 13.1 ttt85 -69.67 -47.71 62.34 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.546 -0.721 . . . . 0.0 109.562 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 82.9 p -65.89 -34.02 77.18 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.413 -0.804 . . . . 0.0 109.367 179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.673 HD12 ' SG ' ' A' ' 29' ' ' CYS . 22.0 tp -66.99 -50.42 62.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.344 -0.847 . . . . 0.0 110.246 -179.843 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.665 ' NH2' HH11 ' A' ' 22' ' ' ARG . 34.3 ptt85 -66.33 -24.64 66.56 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.131 -0.981 . . . . 0.0 108.994 -179.731 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.536 HD21 ' NH1' ' A' ' 22' ' ' ARG . 97.2 m-20 -78.59 -2.79 40.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.434 -0.791 . . . . 0.0 109.829 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.61 21.4 60.02 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 -179.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' CB ' ' O ' ' A' ' 23' ' ' SER . 17.5 t0 -60.16 -39.91 88.05 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.341 -1.094 . . . . 0.0 109.618 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.673 ' SG ' HD12 ' A' ' 24' ' ' LEU . 38.6 m -65.22 -19.63 66.06 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.139 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -97.95 -2.89 39.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.462 -0.774 . . . . 0.0 110.226 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -95.07 115.55 27.57 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.169 -0.957 . . . . 0.0 108.853 179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.565 ' HA ' HD12 ' A' ' 35' ' ' LEU . 83.7 m-20 -58.37 -31.71 67.89 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.836 . . . . 0.0 109.543 -179.657 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.3 -22.64 62.81 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.461 -0.774 . . . . 0.0 110.365 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 24.4 mttt -110.66 1.05 17.74 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.078 -1.014 . . . . 0.0 109.634 -179.571 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.1 mt -58.57 -42.7 88.57 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.262 -0.899 . . . . 0.0 109.085 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 tt -65.2 -40.62 94.42 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.26 -0.9 . . . . 0.0 108.777 179.121 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -61.16 -41.32 96.56 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.513 -0.742 . . . . 0.0 109.077 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.585 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -67.78 -47.34 69.43 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.341 -0.849 . . . . 0.0 110.177 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.66 -27.1 60.96 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.604 -1.799 . . . . 0.0 108.604 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 34.1 t80 -94.74 -53.1 3.99 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.87 -0.782 . . . . 0.0 110.177 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.581 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 67.5 m-85 -79.34 -46.46 17.63 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.396 -0.815 . . . . 0.0 110.931 -179.104 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -137.96 72.1 47.95 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 120.669 -1.269 . . . . 0.0 111.335 -178.784 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.73 -34.2 41.53 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.346 2.031 . . . . 0.0 111.291 178.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 93.3 t -78.37 -43.11 26.87 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.434 -0.791 . . . . 0.0 109.93 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.7 m -59.19 -39.62 83.16 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.505 -0.747 . . . . 0.0 110.723 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.585 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 68.5 m -86.88 -4.43 59.18 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.071 -1.018 . . . . 0.0 110.485 -178.61 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.93 34.88 29.34 Favored Glycine 0 N--CA 1.49 2.265 0 C-N-CA 119.701 -1.238 . . . . 0.0 111.089 178.477 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -104.39 -9.73 18.25 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.811 -1.405 . . . . 0.0 107.937 178.487 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.8 t -153.62 176.74 11.73 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -104.11 155.97 36.4 Favored Pre-proline 0 N--CA 1.489 1.51 0 O-C-N 121.413 -0.805 . . . . 0.0 109.72 -179.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo . . . . . 0 C--N 1.307 -1.635 0 C-N-CA 122.842 2.361 . . . . 0.0 111.925 179.444 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -68.64 137.08 53.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.284 -0.885 . . . . 0.0 109.444 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.554 ' O ' HG22 ' A' ' 3' ' ' ILE . 63.4 mt -73.63 1.72 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.398 -0.814 . . . . 0.0 109.155 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -75.83 1.83 13.93 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.008 -1.057 . . . . 0.0 109.418 -179.872 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.6 t -92.56 -3.3 55.28 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.215 -0.928 . . . . 0.0 109.368 179.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 7' ' ' ALA . . . -77.59 -8.9 58.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.143 -0.973 . . . . 0.0 109.284 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 6' ' ' ALA . . . 44.58 -166.09 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.094 -1.004 . . . . 0.0 109.296 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -114.58 11.72 17.09 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.335 -0.853 . . . . 0.0 108.73 179.459 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.0 mmm -89.64 14.1 12.49 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.434 -0.791 . . . . 0.0 109.643 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -69.53 -27.76 65.45 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.25 -0.906 . . . . 0.0 109.243 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -104.97 119.54 39.27 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.377 -0.827 . . . . 0.0 109.288 -179.716 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 76.4 m -100.52 136.86 39.74 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.03 149.05 47.2 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.094 -1.004 . . . . 0.0 110.452 -179.353 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.501 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 86.2 m-20 -70.86 135.6 48.15 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.116 -0.99 . . . . 0.0 109.398 179.21 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.659 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -59.49 139.45 57.11 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.208 -0.932 . . . . 0.0 109.634 -179.761 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -88.13 -25.18 23.12 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.378 -0.826 . . . . 0.0 110.279 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -86.85 -4.93 59.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.98 -1.075 . . . . 0.0 109.405 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -114.74 130.27 56.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.461 -0.775 . . . . 0.0 109.442 179.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -77.39 85.82 3.79 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.265 -0.897 . . . . 0.0 109.639 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.1 m -67.23 -35.14 78.96 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.063 -1.023 . . . . 0.0 109.2 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.49 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -57.68 -41.14 81.01 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.555 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.535 ' HG3' HD21 ' A' ' 26' ' ' ASN . 12.8 ttm-85 -70.74 -47.56 59.04 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.348 -0.845 . . . . 0.0 109.609 179.384 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.7 p -66.15 -34.86 79.01 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.264 -0.897 . . . . 0.0 109.539 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.593 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.2 tp -64.94 -47.93 75.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.226 -0.921 . . . . 0.0 110.295 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 23.8 ptt180 -69.8 -22.9 63.28 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.22 -0.925 . . . . 0.0 109.22 -179.625 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.535 HD21 ' HG3' ' A' ' 22' ' ' ARG . 95.8 m-20 -78.5 -2.17 37.36 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.535 -0.728 . . . . 0.0 109.078 179.557 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.54 21.33 62.24 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 10.8 t0 -59.32 -39.92 84.63 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.363 -1.081 . . . . 0.0 109.886 -179.617 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.593 ' SG ' HD12 ' A' ' 24' ' ' LEU . 35.4 m -65.64 -20.58 66.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.115 -0.991 . . . . 0.0 108.438 179.423 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -94.17 1.11 56.11 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.574 -0.704 . . . . 0.0 110.16 -179.306 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.426 HD22 ' HE3' ' A' ' 34' ' ' LYS . 49.3 t-20 -102.81 115.53 30.78 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.039 -1.038 . . . . 0.0 109.37 -179.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.575 ' HA ' HD12 ' A' ' 35' ' ' LEU . 52.5 t0 -57.02 -34.84 68.58 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.211 -0.931 . . . . 0.0 109.316 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -66.25 -23.18 66.37 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.627 -0.671 . . . . 0.0 109.994 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 26.4 mttt -110.99 -2.28 16.01 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.165 -0.96 . . . . 0.0 109.387 -179.46 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.9 mt -56.99 -44.78 83.06 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.119 179.585 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.6 tt -65.75 -39.05 90.68 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.172 -0.955 . . . . 0.0 108.65 178.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -61.08 -40.8 95.05 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.425 -0.797 . . . . 0.0 108.887 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.573 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.2 mmt -70.94 -45.78 63.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.25 -0.906 . . . . 0.0 110.102 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -55.4 -27.89 48.97 Favored Glycine 0 N--CA 1.485 1.96 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 179.332 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.488 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 17.2 t80 -95.38 -54.14 3.51 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.749 -0.853 . . . . 0.0 110.362 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.659 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 68.5 m-85 -77.96 -44.61 26.29 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.245 -0.909 . . . . 0.0 111.179 -178.699 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.6 m -140.55 72.27 30.74 Favored Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 120.621 -1.299 . . . . 0.0 111.08 -179.307 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.15 -33.56 30.89 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.465 2.11 . . . . 0.0 111.718 179.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 78.7 t -79.35 -42.92 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 109.571 179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.501 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 55.2 m -58.11 -38.22 76.05 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.385 -0.822 . . . . 0.0 110.635 -179.726 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.573 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 66.2 m -86.42 -6.02 59.02 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.085 -1.009 . . . . 0.0 110.679 -178.617 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.26 35.18 24.29 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 119.607 -1.283 . . . . 0.0 110.841 178.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.1 m-30 -105.57 -14.29 15.33 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.042 -1.269 . . . . 0.0 108.051 178.769 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t -150.02 174.87 12.25 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.49 155.06 37.92 Favored Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.318 -0.863 . . . . 0.0 109.444 -179.754 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo . . . . . 0 C--N 1.306 -1.673 0 C-N-CA 122.631 2.22 . . . . 0.0 112.197 -179.834 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -72.85 146.63 46.1 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.224 -0.922 . . . . 0.0 109.547 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.525 ' O ' HG22 ' A' ' 3' ' ' ILE . 86.8 mt -78.82 -1.08 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.18 -0.95 . . . . 0.0 109.502 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -75.86 2.4 12.47 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.255 -0.903 . . . . 0.0 109.054 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t -85.26 1.13 49.59 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.377 -0.827 . . . . 0.0 109.516 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.82 -7.06 54.75 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.319 -0.863 . . . . 0.0 109.363 179.669 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.56 135.94 57.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.228 -0.92 . . . . 0.0 109.406 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -119.79 10.89 11.75 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.441 -0.787 . . . . 0.0 108.952 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.6 mmm -87.53 10.89 16.31 Favored 'General case' 0 C--N 1.301 -1.52 0 C-N-CA 119.73 -0.788 . . . . 0.0 109.81 -179.136 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -72.24 -22.38 61.25 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.333 -0.854 . . . . 0.0 108.967 179.57 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -104.46 120.21 40.74 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.323 -0.861 . . . . 0.0 109.727 -179.6 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.6 m -94.5 136.21 35.05 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.555 -0.716 . . . . 0.0 109.175 179.529 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.57 151.52 49.47 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.31 -0.869 . . . . 0.0 109.968 179.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.57 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 47.3 p30 -72.85 140.63 47.73 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.488 -0.757 . . . . 0.0 109.221 179.296 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.627 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -66.38 141.11 58.07 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.136 -0.978 . . . . 0.0 109.446 -179.702 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -89.32 -23.35 22.28 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.355 -0.841 . . . . 0.0 109.928 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -85.24 -7.53 58.98 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.108 -0.995 . . . . 0.0 109.413 -179.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -111.35 136.52 50.35 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.547 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -81.2 85.13 6.41 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.211 -0.93 . . . . 0.0 108.655 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.487 ' HB3' HG21 ' A' ' 45' ' ' THR . 22.3 m -68.74 -34.82 76.24 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.349 -0.844 . . . . 0.0 109.408 -179.376 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -61.57 -46.67 88.9 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.503 -0.748 . . . . 0.0 109.028 179.729 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.557 ' HG3' HD21 ' A' ' 26' ' ' ASN . 13.2 ttt-85 -68.87 -44.5 73.17 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.301 -0.874 . . . . 0.0 108.951 179.495 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -64.73 -36.92 85.85 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.398 -0.814 . . . . 0.0 109.396 179.453 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.603 HD12 ' SG ' ' A' ' 29' ' ' CYS . 30.4 tp -64.38 -50.94 65.71 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.275 -0.89 . . . . 0.0 110.5 -179.878 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 37.7 ptt180 -66.79 -22.97 66.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.937 -1.102 . . . . 0.0 108.971 -179.785 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.557 HD21 ' HG3' ' A' ' 22' ' ' ARG . 98.1 m-20 -77.59 -2.76 37.39 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 179.285 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.82 21.57 65.74 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.429 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.9 t0 -57.21 -39.3 75.15 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.246 -1.15 . . . . 0.0 109.43 -179.907 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.603 ' SG ' HD12 ' A' ' 24' ' ' LEU . 32.4 m -66.95 -20.32 65.87 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 179.511 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -93.68 1.46 56.58 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.44 -0.787 . . . . 0.0 110.084 -179.186 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.534 HD22 ' HE3' ' A' ' 34' ' ' LYS . 40.2 t-20 -102.98 117.24 34.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.203 -0.936 . . . . 0.0 109.369 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.668 ' HA ' HD12 ' A' ' 35' ' ' LEU . 56.7 t0 -59.2 -32.43 69.93 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.171 -0.955 . . . . 0.0 109.187 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -66.34 -24.81 66.58 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.555 -0.716 . . . . 0.0 109.417 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.534 ' HE3' HD22 ' A' ' 31' ' ' ASN . 75.0 mttt -111.51 -1.26 15.91 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.326 -0.859 . . . . 0.0 109.734 -179.558 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.8 mt -57.67 -48.67 78.87 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 119.386 -0.925 . . . . 0.0 109.771 -179.7 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 tt -65.16 -38.42 90.52 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.209 -0.932 . . . . 0.0 108.615 179.239 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.36 -39.3 86.7 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.778 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.525 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 36.1 mmt -69.41 -46.64 66.37 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.352 -0.842 . . . . 0.0 109.88 179.504 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.75 -27.16 55.2 Favored Glycine 0 N--CA 1.487 2.076 0 N-CA-C 108.501 -1.839 . . . . 0.0 108.501 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.438 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 30.2 t80 -93.38 -51.9 4.76 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.715 -0.874 . . . . 0.0 110.35 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.584 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 46.1 m-85 -79.56 -50.26 10.98 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.138 -0.976 . . . . 0.0 111.039 -178.883 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 m -135.55 74.86 58.74 Favored Pre-proline 0 C--N 1.302 -1.47 0 O-C-N 120.727 -1.233 . . . . 0.0 110.767 -179.02 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -66.57 -34.84 31.65 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.331 2.02 . . . . 0.0 111.279 179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.5 t -78.21 -44.29 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.506 -0.746 . . . . 0.0 109.186 179.64 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.487 HG21 ' HB3' ' A' ' 20' ' ' CYS . 45.5 m -55.07 -40.16 70.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.475 -0.766 . . . . 0.0 110.683 -179.44 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 63.9 m -86.39 -3.18 58.95 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.141 -0.974 . . . . 0.0 110.787 -178.68 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.47 34.97 34.27 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 119.691 -1.242 . . . . 0.0 110.813 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 18.0 m-30 -103.57 -14.85 16.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.937 -1.331 . . . . 0.0 107.904 178.573 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 t -150.31 174.11 13.22 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.353 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -104.11 156.25 35.99 Favored Pre-proline 0 N--CA 1.494 1.726 0 O-C-N 121.111 -0.993 . . . . 0.0 109.681 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 N--CA 1.494 1.552 0 C-N-CA 123.081 2.52 . . . . 0.0 112.867 -179.817 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.53 ' ND2' ' H1 ' ' A' ' 1' ' ' ASN . 2.4 m120 . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.305 0.574 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.578 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 53.0 p30 -68.94 145.51 53.57 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.867 . . . . 0.0 109.912 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.557 ' O ' HG22 ' A' ' 3' ' ' ILE . 86.4 mt -76.69 -0.54 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.255 -0.903 . . . . 0.0 109.111 179.661 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 90.7 mtt-85 -79.02 1.11 25.09 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.218 -0.927 . . . . 0.0 109.156 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 t -82.38 -3.97 56.49 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.365 -0.834 . . . . 0.0 109.67 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -83.41 -10.66 58.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.277 -0.89 . . . . 0.0 110.14 -179.573 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.0 128.24 35.09 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.925 -1.11 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.449 ' C ' ' OD1' ' A' ' 8' ' ' ASP . 59.0 p30 -108.67 14.02 24.74 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.08 -1.013 . . . . 0.0 109.1 179.577 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 59.1 mmm -84.37 14.55 4.32 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.278 -0.889 . . . . 0.0 110.076 -179.063 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -71.59 -28.38 63.78 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 119.349 -0.94 . . . . 0.0 109.469 179.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -104.8 120.93 42.57 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.186 -0.946 . . . . 0.0 109.288 -179.789 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 58.1 m -107.81 135.69 48.8 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.41 151.41 49.49 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.244 -0.91 . . . . 0.0 109.715 -179.748 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.453 ' CG ' ' OG1' ' A' ' 45' ' ' THR . 82.6 m-20 -71.08 135.06 47.52 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.157 -0.965 . . . . 0.0 108.607 179.075 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.603 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -57.45 137.99 55.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.124 -0.985 . . . . 0.0 109.451 -179.464 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -81.53 -30.59 33.12 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.388 -0.82 . . . . 0.0 109.872 -179.856 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -86.97 0.35 55.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.203 -0.936 . . . . 0.0 109.878 -179.474 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -112.09 133.91 53.95 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.148 -0.97 . . . . 0.0 109.227 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -80.6 84.39 6.19 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.967 -1.083 . . . . 0.0 108.229 179.612 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.3 m -70.24 -35.03 73.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.459 -0.776 . . . . 0.0 109.256 -179.311 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 21' ' ' ARG . 1.1 tmt_? -61.16 -46.72 89.35 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.373 -0.829 . . . . 0.0 108.879 179.859 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.592 ' HG3' HD21 ' A' ' 26' ' ' ASN . 7.9 ttt180 -67.76 -47.15 70.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.285 -0.885 . . . . 0.0 109.479 179.404 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -61.89 -36.25 80.73 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.401 -0.812 . . . . 0.0 109.498 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD12 ' SG ' ' A' ' 29' ' ' CYS . 27.7 tp -63.52 -48.91 75.61 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.098 -1.001 . . . . 0.0 110.002 -179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 14.9 ptm180 -68.39 -25.02 64.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.135 -0.978 . . . . 0.0 109.287 -179.81 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.592 HD21 ' HG3' ' A' ' 22' ' ' ARG . 95.7 m-20 -74.6 -2.54 26.47 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.421 -0.8 . . . . 0.0 109.366 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.31 21.81 64.07 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -179.692 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.401 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 11.9 t0 -59.87 -42.17 93.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.235 -1.156 . . . . 0.0 109.688 -179.866 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' HD12 ' A' ' 24' ' ' LEU . 37.9 m -64.98 -18.31 65.17 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.312 -0.867 . . . . 0.0 108.837 179.767 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -96.78 1.36 50.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 110.209 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.532 HD22 ' HE3' ' A' ' 34' ' ' LYS . 51.6 t-20 -100.81 115.51 30.51 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.152 -0.968 . . . . 0.0 109.576 -179.555 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.647 ' HA ' HD12 ' A' ' 35' ' ' LEU . 65.4 t0 -57.02 -33.82 67.57 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.324 -0.86 . . . . 0.0 109.308 179.845 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 33' ' ' ASP . 63.8 t0 -68.07 -24.81 65.1 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.554 -0.716 . . . . 0.0 110.285 -179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.532 ' HE3' HD22 ' A' ' 31' ' ' ASN . 52.2 mttt -109.81 -2.08 17.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.092 -1.005 . . . . 0.0 109.436 -179.402 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.647 HD12 ' HA ' ' A' ' 32' ' ' ASP . 12.9 mt -55.54 -47.54 76.18 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 119.418 -0.913 . . . . 0.0 109.063 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tt -64.24 -40.41 95.95 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.217 -0.927 . . . . 0.0 108.686 178.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -58.02 -41.63 83.56 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.279 -0.888 . . . . 0.0 108.836 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.629 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -68.24 -47.42 67.84 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.383 -0.823 . . . . 0.0 110.21 -179.624 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.62 -27.79 55.38 Favored Glycine 0 N--CA 1.486 1.984 0 N-CA-C 108.394 -1.882 . . . . 0.0 108.394 179.618 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 36.1 t80 -94.38 -51.49 4.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.65 -0.912 . . . . 0.0 110.198 -179.647 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.573 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 64.2 m-85 -80.37 -46.56 15.84 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.449 -0.782 . . . . 0.0 110.966 -178.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.9 m -139.2 72.3 39.1 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 120.663 -1.273 . . . . 0.0 110.931 -179.283 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -66.04 -33.44 41.34 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.671 2.248 . . . . 0.0 111.558 179.053 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -78.7 -42.04 24.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 O-C-N 121.344 -0.847 . . . . 0.0 109.26 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.453 ' OG1' ' CG ' ' A' ' 14' ' ' ASP . 48.0 m -58.36 -39.17 78.82 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.57 -0.706 . . . . 0.0 110.757 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 69.3 m -87.1 -2.84 58.93 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.168 -0.957 . . . . 0.0 110.529 -178.314 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.16 37.08 29.51 Favored Glycine 0 N--CA 1.491 2.303 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.816 178.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 17.5 m-30 -106.68 -12.91 15.42 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.981 -1.305 . . . . 0.0 108.094 178.822 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.1 t -152.19 175.7 12.33 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.438 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -102.15 155.18 36.79 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.265 -0.897 . . . . 0.0 109.412 -179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo . . . . . 0 C--N 1.307 -1.607 0 C-N-CA 122.524 2.149 . . . . 0.0 112.434 -179.761 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -66.16 138.58 57.81 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.397 -0.814 . . . . 0.0 109.764 -179.681 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 3' ' ' ILE . 78.0 mt -75.38 -5.69 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.48 -0.763 . . . . 0.0 109.689 -179.837 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -59.52 -31.85 69.77 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.076 -1.015 . . . . 0.0 109.631 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.546 ' O ' ' C ' ' A' ' 6' ' ' ALA . 7.8 t -55.98 -35.0 66.25 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.353 -0.842 . . . . 0.0 109.547 -179.815 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.546 ' C ' ' O ' ' A' ' 5' ' ' THR . . . 33.21 51.35 0.29 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.344 -0.848 . . . . 0.0 109.664 -179.878 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.66 140.65 57.39 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.343 -0.848 . . . . 0.0 109.679 -179.721 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' GLU . 56.5 t0 -162.5 0.8 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.295 -0.878 . . . . 0.0 109.126 179.744 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 44.69 21.81 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.454 -0.779 . . . . 0.0 109.837 179.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' ASP . 84.6 tt0 -68.91 -25.66 64.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.173 -0.955 . . . . 0.0 109.419 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -103.19 118.13 36.1 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.181 -0.949 . . . . 0.0 109.309 -179.828 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.8 m -116.25 136.87 52.63 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.447 -0.783 . . . . 0.0 109.23 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.2 152.83 50.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.423 -0.798 . . . . 0.0 109.774 -179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -72.81 133.18 44.36 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.315 -0.866 . . . . 0.0 109.189 179.329 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.55 ' OE1' ' O ' ' A' ' 41' ' ' TYR . 0.3 OUTLIER -60.02 141.61 55.37 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.3 -0.875 . . . . 0.0 109.482 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.601 ' NZ ' HD21 ' A' ' 17' ' ' ASN . 17.8 pttm -88.02 -23.44 23.79 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.46 -0.775 . . . . 0.0 109.854 -179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.601 HD21 ' NZ ' ' A' ' 16' ' ' LYS . 72.0 m-80 -86.74 -6.46 58.82 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.042 -1.036 . . . . 0.0 109.634 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -115.15 134.32 55.26 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.274 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -82.48 106.12 14.09 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.815 -1.178 . . . . 0.0 108.984 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.4 m -80.15 -39.87 28.49 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.505 -0.747 . . . . 0.0 109.732 -179.595 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -43.69 94.13 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.286 -0.884 . . . . 0.0 109.207 -179.851 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.515 ' HG3' HD21 ' A' ' 26' ' ' ASN . 9.4 ttp180 -67.55 -47.55 69.53 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.266 -0.896 . . . . 0.0 109.55 179.773 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 m -65.07 -37.11 86.48 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.438 -0.789 . . . . 0.0 109.079 179.406 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.553 HD12 ' SG ' ' A' ' 29' ' ' CYS . 29.1 tp -64.76 -48.4 74.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.317 -0.865 . . . . 0.0 110.537 -179.837 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 24.9 ptt180 -67.92 -22.3 65.07 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.942 -1.099 . . . . 0.0 108.906 -179.741 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.515 HD21 ' HG3' ' A' ' 22' ' ' ARG . 95.7 m-20 -81.16 -1.13 43.35 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.52 -0.738 . . . . 0.0 109.442 179.394 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.11 22.27 63.61 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' OD1' ' HG2' ' A' ' 38' ' ' MET . 21.8 t0 -59.16 -40.53 85.87 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.22 -1.165 . . . . 0.0 109.451 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.553 ' SG ' HD12 ' A' ' 24' ' ' LEU . 29.9 m -64.44 -19.63 65.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.066 -1.021 . . . . 0.0 108.49 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -96.88 -1.11 46.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.448 -0.783 . . . . 0.0 110.052 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.417 ' ND2' ' HG3' ' A' ' 34' ' ' LYS . 47.5 t-20 -98.22 114.0 26.11 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.971 -1.081 . . . . 0.0 109.39 -179.595 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.571 ' HA ' HD12 ' A' ' 35' ' ' LEU . 75.2 m-20 -56.94 -33.73 67.3 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.358 -0.839 . . . . 0.0 109.022 -179.909 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -67.38 -23.7 65.61 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.701 -0.625 . . . . 0.0 110.05 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' HB2' ' OD1' ' A' ' 28' ' ' ASP . 28.3 mttt -112.46 -0.54 15.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.116 -0.99 . . . . 0.0 109.971 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 32' ' ' ASP . 13.9 mt -55.66 -46.25 77.54 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 108.76 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.05 -37.35 87.28 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.25 -41.22 96.54 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.157 -0.965 . . . . 0.0 108.936 179.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.598 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 38.8 mmt -70.08 -45.84 66.18 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.302 -0.874 . . . . 0.0 109.586 179.628 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.12 -28.93 59.06 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.467 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 21.2 t80 -94.87 -52.16 4.37 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.598 -0.942 . . . . 0.0 110.355 -179.77 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.55 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 67.7 m-85 -79.78 -48.98 12.7 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.135 -0.978 . . . . 0.0 111.25 -178.651 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' MET . 25.5 m -135.33 70.37 68.07 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 120.694 -1.254 . . . . 0.0 110.938 -178.581 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.53 -34.09 43.82 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.76 2.307 . . . . 0.0 111.703 179.117 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -77.02 -42.92 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.389 -0.819 . . . . 0.0 109.916 -179.775 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.3 m -61.36 -37.04 81.94 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.247 -0.908 . . . . 0.0 110.983 -179.373 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 58.3 m -86.31 -0.41 55.79 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.988 -1.07 . . . . 0.0 110.614 -178.48 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.21 35.12 39.03 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.701 -1.237 . . . . 0.0 110.497 178.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 16.8 m-30 -106.36 -13.0 15.49 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.113 -1.228 . . . . 0.0 108.084 178.853 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 t -154.37 173.56 16.04 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.632 -0.667 . . . . 0.0 109.502 179.362 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -105.41 156.17 36.77 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 121.482 -0.761 . . . . 0.0 109.307 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 C--N 1.307 -1.623 0 C-N-CA 122.834 2.356 . . . . 0.0 112.161 179.949 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -68.66 141.82 55.25 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.16 -0.962 . . . . 0.0 109.466 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' ' 3' ' ' ILE . 14.3 mm -76.54 -1.17 3.37 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.194 -0.942 . . . . 0.0 109.381 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.2 mtt85 -77.77 3.34 14.42 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.217 -0.927 . . . . 0.0 109.576 -179.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 t -82.62 -1.32 50.6 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.272 -0.893 . . . . 0.0 109.166 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.03 -24.32 65.99 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.306 -0.871 . . . . 0.0 109.309 179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.33 146.87 46.6 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.0 109.436 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -108.56 10.76 27.07 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 179.232 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 65.7 mmm -90.07 12.52 17.49 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.569 -0.707 . . . . 0.0 110.26 -179.034 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -70.79 -24.81 62.64 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.42 -0.8 . . . . 0.0 109.749 179.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -100.31 123.37 44.45 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.203 -0.936 . . . . 0.0 109.554 -179.481 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 m -114.43 157.99 22.16 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 178.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.03 151.48 49.92 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.96 -1.088 . . . . 0.0 109.657 -179.644 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.586 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 55.5 p30 -69.25 138.96 54.39 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.185 -0.947 . . . . 0.0 109.836 -179.677 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.606 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -66.15 140.14 58.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.219 -0.925 . . . . 0.0 109.37 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -85.21 -24.23 27.94 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.345 -0.847 . . . . 0.0 109.779 179.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -89.19 -1.96 58.3 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.228 -0.92 . . . . 0.0 109.725 -179.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -113.17 132.06 55.62 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.132 -0.98 . . . . 0.0 109.104 179.792 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -79.22 84.71 5.14 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.082 -1.011 . . . . 0.0 108.654 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 m -70.6 -35.92 73.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.359 -0.838 . . . . 0.0 109.52 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.479 ' C ' ' CD ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -59.97 -47.57 85.26 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.428 -0.795 . . . . 0.0 108.88 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.558 ' HG3' HD21 ' A' ' 26' ' ' ASN . 12.6 ttt85 -69.8 -43.63 71.72 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.3 -0.875 . . . . 0.0 109.377 179.551 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.3 m -64.72 -37.26 86.99 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.398 -0.814 . . . . 0.0 109.29 179.588 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.582 HD12 ' SG ' ' A' ' 29' ' ' CYS . 31.3 tp -63.81 -49.11 74.14 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.295 -0.878 . . . . 0.0 110.393 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 22' ' ' ARG . 24.9 ptt180 -68.54 -17.97 64.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.132 -0.98 . . . . 0.0 109.064 -179.564 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.558 HD21 ' HG3' ' A' ' 22' ' ' ARG . 96.5 m-20 -83.36 -2.3 55.41 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.437 -0.789 . . . . 0.0 109.207 179.658 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.22 22.45 60.77 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.115 -1.594 . . . . 0.0 109.115 -179.394 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.421 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 16.3 t0 -59.52 -39.27 83.34 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.254 -1.145 . . . . 0.0 109.089 179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.582 ' SG ' HD12 ' A' ' 24' ' ' LEU . 27.5 m -66.95 -20.3 65.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.228 -0.92 . . . . 0.0 108.659 179.339 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -96.29 -0.94 48.94 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.419 -0.801 . . . . 0.0 110.203 -179.451 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -97.61 116.76 30.44 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.001 -1.062 . . . . 0.0 109.245 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.664 ' HA ' HD12 ' A' ' 35' ' ' LEU . 86.9 m-20 -58.55 -33.26 69.72 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.461 -0.774 . . . . 0.0 109.001 -179.843 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -66.38 -27.79 68.13 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.579 -0.701 . . . . 0.0 109.933 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' CB ' ' OD1' ' A' ' 28' ' ' ASP . 23.5 mttt -108.43 -1.5 19.82 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.185 -0.947 . . . . 0.0 109.831 -178.763 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' A' ' 32' ' ' ASP . 11.6 mt -55.17 -46.78 75.79 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.23 -0.919 . . . . 0.0 109.449 -179.75 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.5 tt -64.34 -38.83 92.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.148 -0.97 . . . . 0.0 108.917 179.153 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -59.77 -40.67 88.98 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.251 -0.906 . . . . 0.0 109.073 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.54 ' SD ' ' SG ' ' A' ' 46' ' ' CYS . 38.0 mmt -69.32 -44.52 71.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.434 -0.791 . . . . 0.0 110.397 -179.68 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.38 -27.85 63.81 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 179.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 28.4 t80 -94.96 -55.67 3.01 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.661 -0.905 . . . . 0.0 110.702 -179.581 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.562 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 69.9 m-85 -76.39 -48.36 20.07 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.206 -0.933 . . . . 0.0 111.295 -178.738 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.488 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.8 m -135.99 70.08 63.79 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 120.717 -1.239 . . . . 0.0 111.088 -178.855 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' MET . 35.8 Cg_endo -66.71 -32.29 38.02 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.303 2.002 . . . . 0.0 111.585 179.355 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.9 t -79.58 -43.62 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.507 -0.746 . . . . 0.0 109.54 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.5 m -59.79 -37.32 78.77 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.307 -0.871 . . . . 0.0 110.608 -179.425 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.54 ' SG ' ' SD ' ' A' ' 38' ' ' MET . 57.5 m -85.57 -9.13 57.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.003 -1.06 . . . . 0.0 110.265 -178.635 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.82 38.09 9.75 Favored Glycine 0 N--CA 1.491 2.335 0 C-N-CA 119.736 -1.221 . . . . 0.0 112.002 177.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 46' ' ' CYS . 36.4 m-85 -105.78 -18.64 14.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.711 -1.464 . . . . 0.0 107.739 177.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 m -124.91 164.16 20.69 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.51 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -99.74 127.86 32.77 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.168 -0.958 . . . . 0.0 108.886 179.597 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 C--N 1.309 -1.508 0 C-N-CA 122.054 1.836 . . . . 0.0 112.067 -179.619 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.55 ' O ' ' O ' ' A' ' 2' ' ' ASP . 22.5 t-20 . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.55 ' O ' ' O ' ' A' ' 1' ' ' ASN . 53.4 m-20 56.43 125.16 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.388 -0.82 . . . . 0.0 109.538 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.406 ' O ' HG22 ' A' ' 3' ' ' ILE . 32.0 mm -77.49 -3.81 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.123 -0.985 . . . . 0.0 108.956 179.741 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -74.78 -0.8 19.47 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.38 -0.825 . . . . 0.0 108.799 179.397 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 t -85.48 -4.55 59.2 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.404 -0.81 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.7 -7.19 57.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.411 -0.806 . . . . 0.0 109.402 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.01 145.37 56.43 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.292 -0.88 . . . . 0.0 109.466 179.753 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -112.09 12.73 20.58 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.321 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.3 mmm -85.05 20.62 1.84 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.646 -0.659 . . . . 0.0 110.454 -179.186 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -67.27 -30.79 70.76 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 121.121 -0.987 . . . . 0.0 109.371 179.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -104.32 114.92 29.49 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.279 -0.888 . . . . 0.0 109.621 -179.53 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.479 ' O ' ' OXT' ' A' ' 51' ' ' PRO . 75.9 m -113.11 137.91 50.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.412 -0.805 . . . . 0.0 109.276 179.729 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.55 149.15 47.95 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.285 -0.885 . . . . 0.0 109.976 -179.647 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.585 ' O ' ' OD1' ' A' ' 14' ' ' ASP . 52.1 p30 -76.04 141.97 41.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.105 -0.997 . . . . 0.0 109.001 179.046 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.96 136.27 57.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.944 -1.097 . . . . 0.0 109.824 -179.413 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.682 ' HZ3' HD21 ' A' ' 17' ' ' ASN . 19.3 pttm -86.28 -15.73 39.76 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.35 -0.843 . . . . 0.0 108.801 178.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.682 HD21 ' HZ3' ' A' ' 16' ' ' LYS . 73.9 m-20 -93.26 -15.63 25.64 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.551 -0.718 . . . . 0.0 109.71 -179.652 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -105.31 129.53 53.63 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -0.91 . . . . 0.0 109.162 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -74.83 86.71 2.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.127 -0.983 . . . . 0.0 109.03 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.8 m -70.67 -35.93 73.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.391 -0.818 . . . . 0.0 109.233 -179.735 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.75 ' HE ' HH21 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -58.25 -43.88 88.08 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.469 ' HG3' HD21 ' A' ' 26' ' ' ASN . 9.0 ttt85 -68.04 -46.96 69.69 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.302 -0.874 . . . . 0.0 109.598 179.402 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.5 p -65.41 -35.42 80.89 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.314 -0.866 . . . . 0.0 109.323 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD12 ' SG ' ' A' ' 29' ' ' CYS . 31.4 tp -62.57 -47.2 84.86 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.217 -0.927 . . . . 0.0 110.173 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.75 HH21 ' HE ' ' A' ' 21' ' ' ARG . 13.4 ptp180 -67.61 -25.32 65.69 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.147 -0.97 . . . . 0.0 109.101 -179.787 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.469 HD21 ' HG3' ' A' ' 22' ' ' ARG . 90.3 m-20 -77.15 -2.05 32.38 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.459 -0.776 . . . . 0.0 109.557 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.86 23.16 60.17 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.45 ' OD1' ' CB ' ' A' ' 34' ' ' LYS . 13.5 t0 -60.46 -38.49 84.36 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.286 -1.126 . . . . 0.0 109.881 -179.835 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.549 ' SG ' HD12 ' A' ' 24' ' ' LEU . 25.5 m -66.84 -20.37 65.92 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.993 -1.067 . . . . 0.0 108.25 179.397 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -94.69 -2.6 50.88 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.676 -0.64 . . . . 0.0 110.116 -179.433 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.503 HD22 ' HE3' ' A' ' 34' ' ' LYS . 52.2 t-20 -98.81 114.93 27.72 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.037 -1.039 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.642 ' HA ' HD12 ' A' ' 35' ' ' LEU . 49.7 t0 -58.42 -33.15 69.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.426 -0.796 . . . . 0.0 109.28 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -66.36 -23.85 66.41 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.368 -0.832 . . . . 0.0 109.867 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.503 ' HE3' HD22 ' A' ' 31' ' ' ASN . 42.7 mttt -111.37 -1.57 15.94 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.117 -0.99 . . . . 0.0 109.685 -179.225 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 32' ' ' ASP . 14.6 mt -57.04 -44.04 82.55 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.179 -0.95 . . . . 0.0 109.435 179.886 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.3 tt -65.66 -38.67 89.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.048 -1.033 . . . . 0.0 108.483 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.92 -42.22 97.7 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 119.609 -0.837 . . . . 0.0 108.792 179.517 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.536 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 39.1 mmt -70.45 -46.15 64.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.508 -0.745 . . . . 0.0 110.051 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -57.75 -25.91 56.67 Favored Glycine 0 N--CA 1.486 2.009 0 N-CA-C 108.398 -1.881 . . . . 0.0 108.398 179.383 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -95.43 -54.32 3.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.591 -0.946 . . . . 0.0 110.024 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -78.81 -47.29 16.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.164 -0.96 . . . . 0.0 111.268 -178.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 38' ' ' MET . 3.5 m -135.96 71.56 62.6 Favored Pre-proline 0 N--CA 1.489 1.507 0 C-N-CA 118.905 -1.118 . . . . 0.0 111.151 -178.594 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -68.13 -32.24 27.94 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.523 2.148 . . . . 0.0 111.28 178.608 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 75.7 t -78.18 -43.47 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.409 -0.807 . . . . 0.0 109.706 179.785 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.0 m -61.21 -38.29 86.07 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.393 -0.817 . . . . 0.0 110.82 -179.025 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 38' ' ' MET . 57.8 m -86.1 -3.29 58.92 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.047 -1.033 . . . . 0.0 110.618 -178.461 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.59 35.17 33.19 Favored Glycine 0 N--CA 1.491 2.327 0 C-N-CA 120.075 -1.06 . . . . 0.0 111.224 178.699 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 46' ' ' CYS . 15.9 m-30 -104.4 -10.55 17.66 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.895 -1.356 . . . . 0.0 107.933 178.563 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t -155.54 175.27 14.11 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.559 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -110.92 149.39 40.35 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.107 -0.996 . . . . 0.0 109.25 -179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.479 ' OXT' ' O ' ' A' ' 12' ' ' CYS . 52.4 Cg_exo . . . . . 0 C--N 1.306 -1.708 0 C-N-CA 122.116 1.878 . . . . 0.0 112.014 179.587 . . . . . . . . 1 1 . 1 stop_ save_