data_1cej_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 1cej _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 5' ' ' HIS . . . . . 0.488 ' H ' ' HD1' ' A' ' 5' ' ' HIS . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -60.76 -48.71 80.58 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.257 -0.902 . . . . 0.0 109.291 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 66.03 144.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.292 -0.88 . . . . 0.0 109.45 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 p -179.79 101.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.163 -0.961 . . . . 0.0 109.517 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 175.08 -41.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.296 -0.878 . . . . 0.0 109.427 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -155.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.31 -0.869 . . . . 0.0 109.305 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -143.26 136.0 27.59 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.046 -1.034 . . . . 0.0 109.987 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 t -116.31 137.26 23.37 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -86.34 176.51 4.92 Favored 'Trans proline' 0 N--CA 1.484 0.933 0 C-N-CA 124.394 3.396 . . . . 0.0 110.955 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -59.85 169.91 1.3 Allowed 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.328 -0.858 . . . . 0.0 109.28 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.415 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 57.5 m-20 54.54 25.39 6.2 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 5.0 m -160.38 147.33 15.83 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.588 -0.695 . . . . 0.0 109.501 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.07 163.82 22.29 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.82 162.9 15.26 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.235 -1.156 . . . . 0.0 109.617 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 46.8 t80 -168.02 137.34 2.52 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.229 -0.919 . . . . 0.0 109.537 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 110.32 19.66 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.248 -0.907 . . . . 0.0 109.139 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.546 ' CE1' ' HE ' ' A' ' 25' ' ' ARG . 11.4 m-70 -54.35 142.14 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.319 -0.863 . . . . 0.0 109.584 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.53 ' CD2' ' H ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -66.69 -6.97 17.66 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.421 -0.8 . . . . 0.0 109.151 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.97 23.11 6.69 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.3 -0.875 . . . . 0.0 109.421 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 65.58 57.07 0.89 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.197 -0.939 . . . . 0.0 109.636 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.546 ' HE ' ' CE1' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -150.95 128.19 11.25 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.223 -0.923 . . . . 0.0 109.249 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -89.84 127.78 36.05 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.18 -0.95 . . . . 0.0 109.437 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.87 168.34 23.26 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.252 -0.905 . . . . 0.0 109.603 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.3 115.43 22.31 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.549 ' HZ3' HD22 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -102.14 143.38 32.02 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.286 -0.884 . . . . 0.0 109.63 -179.112 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 2.8 m -60.78 152.38 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.197 -0.94 . . . . 0.0 109.899 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.8 mt -59.96 -165.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.542 -0.723 . . . . 0.0 110.053 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.37 162.22 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.38 -0.825 . . . . 0.0 109.731 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 58.07 15.47 3.23 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.344 -0.847 . . . . 0.0 109.711 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CE2' ' HB3' ' A' ' 15' ' ' ASN . 20.7 m-85 -124.57 165.07 18.49 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.249 -0.907 . . . . 0.0 109.417 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.71 -172.22 4.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -112.07 143.64 42.75 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.521 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -166.81 86.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.255 -0.903 . . . . 0.0 109.53 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.72 -113.66 4.75 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.42 11.69 8.68 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.28 -1.129 . . . . 0.0 109.44 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -146.18 142.62 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.327 -0.858 . . . . 0.0 109.148 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 77.7 m -73.3 145.23 46.19 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.224 -0.923 . . . . 0.0 109.372 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -121.17 173.55 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 121.194 -0.941 . . . . 0.0 109.819 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.85 148.21 52.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.248 -0.908 . . . . 0.0 109.528 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.93 68.49 25.37 Favored Pre-proline 0 CA--C 1.531 0.218 0 O-C-N 121.34 -0.85 . . . . 0.0 109.816 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -35.52 -33.34 0.1 Allowed 'Trans proline' 0 N--CA 1.482 0.802 1 C-N-CA 125.815 4.343 . . . . 0.0 110.474 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.0 93.01 13.7 Favored Pre-proline 0 CA--C 1.533 0.303 0 O-C-N 121.342 -0.849 . . . . 0.0 109.441 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -90.2 148.19 4.53 Favored 'Trans proline' 0 N--CA 1.477 0.541 1 C-N-CA 125.362 4.042 . . . . 0.0 110.347 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 t -134.2 -167.07 1.9 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.239 -0.913 . . . . 0.0 109.45 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.41 ' C ' ' H ' ' A' ' 51' ' ' GLU . 2.0 m -111.66 -26.12 9.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -70.38 1.61 4.79 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 121.347 -0.846 . . . . 0.0 108.737 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.5 pt-20 -99.78 51.24 0.92 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.96 73.08 0.14 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.232 0.539 . . . . 0.0 110.546 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.549 HD22 ' HZ3' ' A' ' 29' ' ' LYS . 6.1 t30 59.68 85.14 0.11 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.809 0.814 . . . . 0.0 109.003 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.79 43.94 2.57 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.93 -17.66 5.68 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 108.029 -2.029 . . . . 0.0 108.029 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' ASP . 38.6 m -111.82 110.79 21.33 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.481 -1.011 . . . . 0.0 109.159 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' CYS . 31.8 t0 -28.03 136.77 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.401 0.619 . . . . 0.0 111.958 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.93 -32.74 61.52 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -15.78 49.28 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.408 -0.807 . . . . 0.0 108.931 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.93 174.46 7.32 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.209 -0.932 . . . . 0.0 109.453 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -99.43 168.59 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.327 -0.858 . . . . 0.0 109.294 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.2 t -132.8 141.63 48.58 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.251 -0.905 . . . . 0.0 109.237 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.84 140.69 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.165 -0.959 . . . . 0.0 109.551 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.37 -3.11 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.288 -0.883 . . . . 0.0 109.439 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 . . . . . 0 CA--C 1.531 0.214 0 O-C-N 121.375 -0.828 . . . . 0.0 109.419 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.5 pttt . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 121.324 0.583 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.03 165.59 22.87 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.289 -0.882 . . . . 0.0 109.128 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.85 128.5 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 O-C-N 121.246 -0.908 . . . . 0.0 109.559 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -120.46 160.32 23.37 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.351 -0.843 . . . . 0.0 109.394 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 69.7 m -124.21 143.78 50.32 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.268 -0.895 . . . . 0.0 108.935 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -140.27 110.9 6.78 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.05 -1.031 . . . . 0.0 109.934 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.88 105.53 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.312 -0.868 . . . . 0.0 109.054 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -72.09 -18.54 61.91 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.272 -0.893 . . . . 0.0 110.029 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -54.57 168.03 0.53 Allowed Pre-proline 0 CA--C 1.533 0.315 0 O-C-N 121.114 -0.991 . . . . 0.0 109.543 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.441 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 11.6 Cg_endo -87.99 -41.59 0.05 OUTLIER 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 125.285 3.99 . . . . 0.0 110.155 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.441 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 1.3 t70 -80.5 17.87 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.221 -0.925 . . . . 0.0 109.015 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 81' ' ' PRO . 53.0 p -55.18 108.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.504 -0.747 . . . . 0.0 109.755 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -143.83 68.78 16.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 O-C-N 121.309 -0.87 . . . . 0.0 108.993 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -31.17 119.27 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.743 1 C-N-CA 126.324 4.682 . . . . 0.0 111.083 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.0 mt -76.71 -19.91 57.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.421 ' CD2' HD13 ' A' ' 90' ' ' ILE . 96.6 m-85 -132.08 -106.65 0.26 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -113.5 23.42 13.19 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.012 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.89 41.61 1.8 Allowed Glycine 0 CA--C 1.531 1.069 0 C-N-CA 119.736 -1.221 . . . . 0.0 110.343 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.421 HD13 ' CD2' ' A' ' 87' ' ' PHE . 2.4 pt -111.82 -21.3 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 121.027 -1.278 . . . . 0.0 109.245 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.482 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 33.9 m-85 -137.0 63.79 1.56 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.327 -0.858 . . . . 0.0 109.558 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 18.7 m -61.8 118.87 7.75 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.319 -0.863 . . . . 0.0 109.39 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 O-C-N 121.199 -0.938 . . . . 0.0 109.375 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.505 ' N ' ' HD1' ' A' ' 5' ' ' HIS . 2.3 p-80 . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 121.059 0.457 . . . . 0.0 109.782 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 66.41 137.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.313 -0.867 . . . . 0.0 109.651 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 m -135.13 5.05 3.26 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.131 -0.981 . . . . 0.0 109.486 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.459 ' CG1' ' H ' ' A' ' 9' ' ' LYS . 14.2 t 57.29 -124.29 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 121.224 -0.923 . . . . 0.0 109.402 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' H ' ' CG1' ' A' ' 8' ' ' VAL . 1.8 ttpt -100.24 44.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.281 -0.887 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.95 120.32 39.51 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.242 -0.911 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -130.11 117.0 19.29 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.212 -0.93 . . . . 0.0 109.592 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -93.21 175.89 2.86 Favored Pre-proline 0 CA--C 1.533 0.293 0 O-C-N 121.335 -0.853 . . . . 0.0 109.231 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 12' ' ' CYS . 11.9 Cg_endo -88.05 172.37 5.33 Favored 'Trans proline' 0 N--CA 1.479 0.621 0 C-N-CA 125.283 3.988 . . . . 0.0 110.576 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -54.4 171.52 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.288 -0.882 . . . . 0.0 109.511 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 56.67 18.74 3.84 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.254 -0.903 . . . . 0.0 109.251 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.43 ' HG ' ' N ' ' A' ' 17' ' ' GLY . 43.3 t -163.41 157.45 19.92 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.227 -0.921 . . . . 0.0 109.662 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.43 ' N ' ' HG ' ' A' ' 16' ' ' SER . . . -152.73 158.23 27.75 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 109.354 -1.499 . . . . 0.0 109.354 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 p -73.08 160.38 32.12 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.143 -1.21 . . . . 0.0 109.201 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.508 ' CE1' ' CD2' ' A' ' 21' ' ' HIS . 19.5 t80 -157.38 104.97 2.05 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.14 -0.975 . . . . 0.0 109.625 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -83.11 -115.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.371 -0.831 . . . . 0.0 109.114 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.508 ' CD2' ' CE1' ' A' ' 19' ' ' PHE . 20.4 m-70 59.59 -157.14 0.33 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mt 60.12 15.33 5.1 Favored 'General case' 0 C--O 1.225 -0.216 0 O-C-N 121.159 -0.963 . . . . 0.0 109.179 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 76.4 -42.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -161.45 8.98 0.08 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.107 -0.996 . . . . 0.0 110.692 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.51 103.96 15.91 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 120.719 -1.238 . . . . 0.0 109.571 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -115.24 138.05 51.36 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.339 -0.851 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -163.64 164.87 23.86 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.239 -0.913 . . . . 0.0 109.471 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 m -95.0 107.56 19.61 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.254 -0.904 . . . . 0.0 109.33 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HZ2' ' HA2' ' A' ' 55' ' ' GLY . 18.6 tttt -104.69 143.28 33.31 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.251 -0.906 . . . . 0.0 109.104 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.99 162.09 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.131 -0.981 . . . . 0.0 109.546 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.41 HD23 ' CD1' ' A' ' 87' ' ' PHE . 44.8 mt -69.52 -167.61 0.14 Allowed 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.153 -0.967 . . . . 0.0 109.737 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.64 156.07 39.8 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.358 -0.839 . . . . 0.0 109.422 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 57.89 17.09 4.04 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.413 -0.804 . . . . 0.0 109.42 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.63 121.63 30.98 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.453 -0.779 . . . . 0.0 109.231 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.66 -177.67 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.273 -0.892 . . . . 0.0 109.131 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -126.94 129.55 48.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.402 -0.811 . . . . 0.0 109.449 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -146.63 97.28 2.89 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.258 -0.901 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.05 -99.8 2.41 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.76 4.03 2.09 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.258 -1.143 . . . . 0.0 109.415 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm -133.43 129.67 37.61 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.334 -0.854 . . . . 0.0 109.363 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -76.57 145.49 38.95 Favored 'General case' 0 C--N 1.33 -0.283 0 O-C-N 121.243 -0.911 . . . . 0.0 109.424 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.0 m -121.46 -179.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 121.273 -0.892 . . . . 0.0 109.397 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.21 137.25 42.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.199 -0.938 . . . . 0.0 109.344 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -124.58 67.37 48.9 Favored Pre-proline 0 C--N 1.331 -0.234 0 O-C-N 121.252 -0.905 . . . . 0.0 109.671 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -35.32 -32.75 0.09 OUTLIER 'Trans proline' 0 N--CA 1.482 0.833 1 C-N-CA 125.891 4.394 . . . . 0.0 110.37 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -120.59 95.98 48.95 Favored Pre-proline 0 CA--C 1.535 0.379 0 O-C-N 121.339 -0.85 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -84.83 174.95 7.12 Favored 'Trans proline' 0 N--CA 1.48 0.693 0 C-N-CA 125.013 3.809 . . . . 0.0 110.334 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.408 ' CG2' ' HB2' ' A' ' 51' ' ' GLU . 12.9 t -140.0 -159.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.19 -0.944 . . . . 0.0 109.963 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.5 m -145.35 -38.81 0.25 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -69.33 3.18 2.39 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.484 -0.76 . . . . 0.0 109.706 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HB2' ' CG2' ' A' ' 48' ' ' THR . 79.3 mm-40 -105.45 60.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.149 -0.969 . . . . 0.0 108.943 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.07 72.15 0.16 Allowed 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.001 0.429 . . . . 0.0 110.873 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 22.2 t-20 58.69 80.98 0.17 Allowed 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.408 -0.808 . . . . 0.0 109.631 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.99 92.6 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 107.745 -2.142 . . . . 0.0 107.745 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.419 ' HA2' ' HZ2' ' A' ' 29' ' ' LYS . . . -160.45 -4.74 0.05 OUTLIER Glycine 0 CA--C 1.523 0.545 0 N-CA-C 107.404 -2.279 . . . . 0.0 107.404 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' ASP . 73.6 m -111.61 120.6 42.63 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.728 -0.866 . . . . 0.0 109.09 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' CYS . 0.0 OUTLIER -26.25 131.21 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.434 0.635 . . . . 0.0 111.877 -179.209 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.95 -30.26 58.48 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.298 -0.876 . . . . 0.0 109.256 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -89.39 -6.79 56.28 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.379 -0.826 . . . . 0.0 109.223 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.3 160.05 14.63 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.285 -0.884 . . . . 0.0 109.735 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.66 165.34 24.38 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.392 -0.817 . . . . 0.0 109.133 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.1 t -140.16 134.86 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.247 -0.908 . . . . 0.0 109.533 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p -124.34 139.17 54.16 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.19 -0.944 . . . . 0.0 109.493 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.18 17.79 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.352 -0.842 . . . . 0.0 109.652 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 . . . . . 0 CA--C 1.531 0.214 0 O-C-N 121.342 -0.849 . . . . 0.0 109.706 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -119.71 114.18 21.78 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.178 -0.951 . . . . 0.0 109.534 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -101.59 141.41 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 121.335 -0.853 . . . . 0.0 109.154 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.04 156.72 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.093 -1.005 . . . . 0.0 109.726 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 m -123.49 143.04 50.42 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.386 -0.821 . . . . 0.0 109.224 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -146.39 96.82 2.84 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.166 -0.959 . . . . 0.0 109.458 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.454 ' HB2' ' HG ' ' A' ' 83' ' ' SER . 4.6 m -73.31 128.88 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.31 -0.869 . . . . 0.0 109.455 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.1 t -93.14 36.17 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.317 -0.864 . . . . 0.0 109.348 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -111.21 168.29 7.81 Favored Pre-proline 0 CA--C 1.532 0.285 0 O-C-N 121.224 -0.922 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -85.91 -35.44 0.14 Allowed 'Trans proline' 0 N--CA 1.478 0.569 0 C-N-CA 125.085 3.857 . . . . 0.0 109.895 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -89.92 20.37 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.36 -0.837 . . . . 0.0 108.907 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.454 ' HG ' ' HB2' ' A' ' 78' ' ' CYS . 14.8 t -53.31 102.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.546 -0.722 . . . . 0.0 109.605 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -139.36 74.97 34.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 O-C-N 121.312 -0.868 . . . . 0.0 109.077 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -31.4 113.36 0.05 OUTLIER 'Trans proline' 0 N--CA 1.481 0.76 1 C-N-CA 126.071 4.514 . . . . 0.0 111.026 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.32 -10.43 54.76 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CD2' HD13 ' A' ' 90' ' ' ILE . 84.6 m-85 -153.39 -109.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -104.2 19.64 19.79 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.618 -0.676 . . . . 0.0 110.053 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.25 21.29 7.4 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 119.484 -1.341 . . . . 0.0 110.349 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.439 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 2.4 pt -89.09 -29.57 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 O-C-N 121.043 -1.269 . . . . 0.0 109.004 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CD1' ' CG ' ' A' ' 19' ' ' PHE . 13.2 m-85 -136.21 101.78 4.8 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.338 -0.851 . . . . 0.0 109.225 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.1 80.72 7.58 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.056 -1.028 . . . . 0.0 109.616 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.42 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 50.8 p . . . . . 0 C--N 1.329 -0.303 0 O-C-N 121.312 -0.867 . . . . 0.0 109.27 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.408 ' CE1' ' O ' ' A' ' 18' ' ' CYS . 18.5 t60 . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 121.257 0.551 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -140.76 54.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.309 -0.869 . . . . 0.0 109.364 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 p -57.87 155.48 10.41 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.156 -0.965 . . . . 0.0 109.356 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.406 HG11 ' H ' ' A' ' 9' ' ' LYS . 1.9 t -58.35 -175.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 O-C-N 121.292 -0.88 . . . . 0.0 109.676 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.406 ' H ' HG11 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -74.32 50.95 0.42 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.315 -0.866 . . . . 0.0 109.563 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -55.28 -37.98 68.02 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.291 -0.88 . . . . 0.0 109.306 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 55.88 90.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.285 -0.884 . . . . 0.0 109.459 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.75 172.93 5.82 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 121.153 -0.967 . . . . 0.0 109.013 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -87.66 169.54 6.78 Favored 'Trans proline' 0 N--CA 1.479 0.623 1 C-N-CA 125.381 4.054 . . . . 0.0 110.595 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.1 168.03 0.25 Allowed 'General case' 0 C--N 1.332 -0.158 0 O-C-N 121.328 -0.858 . . . . 0.0 109.425 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 55.34 30.02 14.06 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.213 -0.93 . . . . 0.0 109.128 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -164.96 123.85 1.76 Allowed 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.297 -0.877 . . . . 0.0 109.907 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -104.45 -160.75 24.17 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 109.224 -1.551 . . . . 0.0 109.224 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' O ' ' CE1' ' A' ' 5' ' ' HIS . 7.3 t -122.2 141.49 51.41 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.121 -1.223 . . . . 0.0 109.661 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CE1' ' CD2' ' A' ' 21' ' ' HIS . 4.4 t80 -150.02 145.32 26.34 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.501 ' HA ' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -155.82 80.09 1.01 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.341 -0.849 . . . . 0.0 108.766 -179.241 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.491 ' CD2' ' CE1' ' A' ' 19' ' ' PHE . 55.5 m-70 -149.07 -32.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.051 -1.031 . . . . 0.0 110.64 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.464 HD11 ' H ' ' A' ' 22' ' ' LEU . 9.0 mp -53.51 -22.91 8.98 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.249 -0.907 . . . . 0.0 110.128 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.37 19.37 1.54 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 60.43 16.22 6.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.0 45.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.501 ' CB ' ' HA ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -68.55 -130.1 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.753 -0.592 . . . . 0.0 110.169 -179.154 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.436 ' H ' ' HB3' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -174.99 -168.26 0.33 Allowed 'General case' 0 C--O 1.233 0.187 0 O-C-N 120.666 -1.271 . . . . 0.0 109.671 -179.712 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.6 m -69.65 132.12 45.67 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.515 -0.74 . . . . 0.0 109.351 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 138.78 54.4 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.213 -0.93 . . . . 0.0 108.798 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -54.49 159.18 2.17 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.045 -1.035 . . . . 0.0 109.521 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.54 -167.36 0.13 Allowed 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.241 -0.912 . . . . 0.0 110.166 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 157.44 38.08 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 121.464 -0.773 . . . . 0.0 109.654 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 57.71 16.26 3.39 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.265 -0.897 . . . . 0.0 109.475 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -127.57 115.92 19.55 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.394 -0.816 . . . . 0.0 109.792 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.09 177.69 4.77 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.157 -0.965 . . . . 0.0 108.8 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -98.82 144.8 27.64 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.146 -0.971 . . . . 0.0 109.434 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -150.2 76.84 1.29 Allowed 'General case' 0 C--N 1.332 -0.182 0 O-C-N 121.168 -0.957 . . . . 0.0 109.613 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.31 -80.26 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.2 -10.53 0.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.212 -1.17 . . . . 0.0 109.572 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -118.9 130.51 55.77 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.257 -0.902 . . . . 0.0 109.173 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.6 m -73.03 125.79 28.47 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.057 -1.027 . . . . 0.0 109.493 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 m -101.96 -178.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 121.287 -0.883 . . . . 0.0 109.718 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -79.42 138.41 37.61 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.601 -0.687 . . . . 0.0 109.504 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -123.81 66.45 38.3 Favored Pre-proline 0 C--N 1.332 -0.189 0 O-C-N 121.198 -0.939 . . . . 0.0 109.589 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -34.61 -32.89 0.07 OUTLIER 'Trans proline' 0 N--CA 1.482 0.814 1 C-N-CA 126.005 4.47 . . . . 0.0 110.738 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.96 90.78 50.36 Favored Pre-proline 0 CA--C 1.533 0.317 0 O-C-N 121.252 -0.905 . . . . 0.0 109.739 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -91.47 158.54 3.64 Favored 'Trans proline' 0 N--CA 1.477 0.543 1 C-N-CA 125.393 4.062 . . . . 0.0 110.393 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 t -133.42 -164.33 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.17 -0.956 . . . . 0.0 109.573 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.86 -24.45 4.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -69.94 1.0 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -98.51 50.07 0.99 Allowed 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 42.41 72.34 0.18 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.384 0.611 . . . . 0.0 109.7 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.456 HD21 ' C ' ' A' ' 56' ' ' CYS . 0.1 OUTLIER 64.52 91.09 0.08 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 122.837 1.303 . . . . 0.0 108.35 -179.197 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -105.23 38.35 3.34 Favored Glycine 0 CA--C 1.518 0.245 0 N-CA-C 107.624 -2.19 . . . . 0.0 107.624 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 133.12 -19.62 4.33 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 107.432 -2.267 . . . . 0.0 107.432 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.456 ' C ' HD21 ' A' ' 53' ' ' ASN . 56.6 m -112.5 128.42 56.33 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.459 -1.024 . . . . 0.0 108.7 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -45.9 140.21 3.78 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.309 0.576 . . . . 0.0 110.354 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.0 -32.52 47.03 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.618 -0.676 . . . . 0.0 109.264 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -16.05 36.03 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.318 -0.864 . . . . 0.0 109.198 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.19 162.34 18.38 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.265 -0.897 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -89.95 153.95 20.22 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.301 -0.874 . . . . 0.0 109.039 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 36.9 t -124.42 132.0 53.51 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.18 -0.95 . . . . 0.0 109.445 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -116.68 139.66 50.29 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.239 -0.913 . . . . 0.0 109.362 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.37 19.49 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.224 -0.923 . . . . 0.0 109.669 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 C--N 1.33 -0.252 0 O-C-N 121.376 -0.828 . . . . 0.0 109.661 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -112.27 130.86 55.79 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.293 -0.879 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.77 124.99 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 O-C-N 121.274 -0.892 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.68 163.6 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.23 -0.919 . . . . 0.0 109.525 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -135.97 114.31 11.62 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.219 -0.926 . . . . 0.0 109.452 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -112.04 98.77 7.57 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.216 -0.927 . . . . 0.0 109.224 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 34.6 m -59.77 153.47 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.21 -0.932 . . . . 0.0 109.702 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 t -104.75 10.22 34.7 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.349 -0.845 . . . . 0.0 109.111 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -71.06 154.55 94.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 O-C-N 121.318 -0.864 . . . . 0.0 108.99 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.407 ' HB2' ' H ' ' A' ' 82' ' ' ASP . 6.9 Cg_exo -37.35 -92.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.482 0.844 0 C-N-CA 125.275 3.984 . . . . 0.0 110.004 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.407 ' H ' ' HB2' ' A' ' 81' ' ' PRO . 3.5 t70 -90.93 -2.93 57.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 120.759 -1.213 . . . . 0.0 107.776 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.401 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER 61.34 156.73 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.331 0.586 . . . . 0.0 109.673 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 83' ' ' SER . 67.0 m-85 -152.8 59.44 2.86 Favored Pre-proline 0 C--N 1.33 -0.273 0 O-C-N 120.863 -1.148 . . . . 0.0 109.757 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -36.85 110.94 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.761 1 C-N-CA 125.783 4.322 . . . . 0.0 110.482 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.9 mt -76.59 -6.54 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -153.7 -108.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -112.48 18.13 18.7 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.544 -0.723 . . . . 0.0 109.772 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.52 -18.08 8.8 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 119.638 -1.267 . . . . 0.0 110.206 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.406 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -55.14 -37.13 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 121.11 -1.23 . . . . 0.0 109.429 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 13.5 m-85 -130.84 123.77 29.8 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.134 -0.979 . . . . 0.0 109.089 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 94.56 4.87 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.147 -0.97 . . . . 0.0 109.469 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 O-C-N 121.266 -0.896 . . . . 0.0 109.422 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.49 92.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.21 -0.931 . . . . 0.0 109.399 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 m -54.54 143.03 25.57 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.279 -0.888 . . . . 0.0 109.271 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -59.44 -74.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 121.133 -0.98 . . . . 0.0 109.499 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -138.31 54.26 1.78 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.163 -0.961 . . . . 0.0 109.692 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HZ3' ' HB2' ' A' ' 18' ' ' CYS . 1.7 mmmp? -91.78 147.32 23.07 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.194 -0.941 . . . . 0.0 109.234 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -144.42 69.44 1.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.133 -0.979 . . . . 0.0 109.721 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -69.28 173.69 3.61 Favored Pre-proline 0 CA--C 1.532 0.274 0 O-C-N 121.205 -0.934 . . . . 0.0 109.05 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -88.18 169.88 6.07 Favored 'Trans proline' 0 N--CA 1.478 0.571 1 C-N-CA 125.335 4.024 . . . . 0.0 110.619 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -53.97 173.25 0.07 Allowed 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.358 -0.839 . . . . 0.0 109.616 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 54.88 31.42 15.74 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.322 -0.861 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.66 139.75 3.14 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.26 -0.9 . . . . 0.0 109.501 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.23 166.65 14.81 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' HB2' ' HZ3' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -88.07 154.87 20.13 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.275 -1.132 . . . . 0.0 109.539 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CZ ' ' OD1' ' A' ' 57' ' ' ASP . 5.1 t80 -160.01 108.14 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.254 -0.904 . . . . 0.0 109.403 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.418 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 31.0 ttp85 -107.76 78.84 1.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.377 -0.827 . . . . 0.0 109.379 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.431 ' C ' ' H ' ' A' ' 23' ' ' ASP . 85.9 m-70 -154.9 164.89 38.21 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.362 -0.836 . . . . 0.0 109.984 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 71.05 -40.94 0.49 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.77 -0.581 . . . . 0.0 110.443 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 21' ' ' HIS . 20.5 p30 -109.55 7.63 24.75 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.053 -1.03 . . . . 0.0 109.543 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 55.21 21.14 3.81 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.276 -0.89 . . . . 0.0 109.127 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -143.39 151.26 40.2 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.347 -0.846 . . . . 0.0 109.26 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -78.2 141.32 38.72 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.276 -0.89 . . . . 0.0 109.716 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -139.05 162.81 34.02 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.371 -0.831 . . . . 0.0 109.208 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.6 m -109.72 95.42 5.59 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.136 -0.978 . . . . 0.0 109.64 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 8.6 tttt -87.15 168.81 12.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.505 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.3 m -90.14 166.46 13.38 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.857 -1.152 . . . . 0.0 109.22 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.98 -164.87 0.33 Allowed 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.151 -0.968 . . . . 0.0 110.169 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.18 153.64 42.33 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.262 -0.898 . . . . 0.0 109.728 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 56.95 18.65 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.298 -0.876 . . . . 0.0 109.348 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -125.93 120.06 29.4 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.316 -0.865 . . . . 0.0 109.245 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.06 -178.9 3.79 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.179 -0.951 . . . . 0.0 108.997 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -112.49 126.27 55.14 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.369 -0.832 . . . . 0.0 109.287 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.22 130.91 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.191 -0.943 . . . . 0.0 109.501 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.18 -101.84 0.6 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.77 4.16 3.03 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.213 -1.169 . . . . 0.0 109.411 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -135.82 147.57 48.34 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.236 -0.915 . . . . 0.0 109.171 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 77.6 m -79.12 143.1 35.82 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.137 -0.977 . . . . 0.0 109.368 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 m -121.32 -179.32 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 O-C-N 121.207 -0.933 . . . . 0.0 109.596 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.14 138.44 40.73 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.538 -0.726 . . . . 0.0 109.39 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -130.39 67.07 79.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 O-C-N 121.269 -0.894 . . . . 0.0 109.67 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -35.88 -32.04 0.09 OUTLIER 'Trans proline' 0 N--CA 1.483 0.866 1 C-N-CA 125.848 4.366 . . . . 0.0 110.359 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.97 95.85 49.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 O-C-N 121.279 -0.888 . . . . 0.0 109.474 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -84.19 179.02 4.84 Favored 'Trans proline' 0 N--CA 1.481 0.765 0 C-N-CA 124.938 3.759 . . . . 0.0 110.261 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.415 ' CG2' ' CG ' ' A' ' 51' ' ' GLU . 15.4 t -149.49 -160.73 1.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.272 -0.892 . . . . 0.0 109.815 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.413 ' C ' ' H ' ' A' ' 51' ' ' GLU . 3.1 m -141.57 -38.79 0.39 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.431 -0.793 . . . . 0.0 108.92 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -69.12 3.83 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.545 -0.722 . . . . 0.0 109.647 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 71.0 mm-40 -108.19 59.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.203 -0.935 . . . . 0.0 108.913 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.02 73.89 0.11 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.009 0.433 . . . . 0.0 111.014 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.4 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 17.9 t-20 58.95 82.51 0.14 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.454 -0.779 . . . . 0.0 109.394 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.7 -37.55 76.69 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 107.651 -2.18 . . . . 0.0 107.651 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.18 -4.38 0.08 OUTLIER Glycine 0 CA--C 1.522 0.51 0 N-CA-C 107.284 -2.326 . . . . 0.0 107.284 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASP . 60.7 m -111.83 124.73 52.97 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.656 -0.908 . . . . 0.0 109.171 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' CYS . 19.1 t0 -32.7 135.65 0.09 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.497 0.665 . . . . 0.0 111.516 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.12 -23.72 8.74 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.55 -0.719 . . . . 0.0 109.338 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -97.98 -15.64 20.01 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.397 -0.814 . . . . 0.0 109.302 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.34 162.33 19.12 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.169 -0.957 . . . . 0.0 109.684 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -83.38 164.53 19.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.372 -0.83 . . . . 0.0 109.122 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.5 t -135.83 133.26 37.63 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.224 -0.922 . . . . 0.0 109.694 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -122.49 138.7 54.47 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.249 -0.907 . . . . 0.0 109.276 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.58 19.33 2.53 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.418 -0.801 . . . . 0.0 109.623 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 . . . . . 0 C--N 1.331 -0.224 0 O-C-N 121.457 -0.777 . . . . 0.0 109.701 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.13 130.27 55.68 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.302 -0.874 . . . . 0.0 109.461 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 mm -111.63 111.18 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 121.3 -0.875 . . . . 0.0 109.384 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.27 137.91 48.41 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.196 -0.94 . . . . 0.0 109.374 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.0 m -104.45 155.86 18.44 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.217 -0.927 . . . . 0.0 109.414 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -156.69 101.15 1.97 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.288 -0.882 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.422 ' HB3' ' HG ' ' A' ' 83' ' ' SER . 2.3 m -60.24 97.19 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.185 -0.947 . . . . 0.0 108.758 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.8 t -73.54 46.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.264 -0.897 . . . . 0.0 110.049 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -138.76 167.79 18.13 Favored Pre-proline 0 C--N 1.329 -0.321 0 O-C-N 121.102 -0.999 . . . . 0.0 109.446 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 16.5 Cg_endo -89.29 -45.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.571 1 C-N-CA 125.344 4.029 . . . . 0.0 110.037 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.464 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 50.5 m-20 -82.82 25.71 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.379 -0.825 . . . . 0.0 109.147 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.422 ' HG ' ' HB3' ' A' ' 78' ' ' CYS . 0.4 OUTLIER -99.45 113.07 25.22 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.521 -0.737 . . . . 0.0 109.356 -179.528 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 82' ' ' ASP . 0.5 OUTLIER -120.93 77.19 30.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 O-C-N 121.2 -0.937 . . . . 0.0 109.572 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -32.58 110.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.482 0.822 1 C-N-CA 125.824 4.349 . . . . 0.0 110.878 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.0 mt -71.6 -33.12 68.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -117.26 -106.27 0.39 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.94 17.56 20.38 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.802 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.04 1.77 22.26 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 119.679 -1.248 . . . . 0.0 110.398 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.446 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 3.0 pt -68.51 -26.24 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 120.894 -1.357 . . . . 0.0 109.253 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 29.4 m-85 -140.4 96.26 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.245 -0.909 . . . . 0.0 109.751 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.69 133.68 47.32 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.206 -0.934 . . . . 0.0 108.906 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.414 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 O-C-N 121.349 -0.844 . . . . 0.0 109.511 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -28.56 46.13 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.48 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.98 107.01 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.21 -0.931 . . . . 0.0 109.343 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 m -66.25 -174.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.26 -0.9 . . . . 0.0 109.653 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 68.42 1.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.31 -0.869 . . . . 0.0 109.308 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -159.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.255 -0.903 . . . . 0.0 109.671 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -101.13 152.49 20.57 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.365 -0.835 . . . . 0.0 109.367 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 12.3 t -165.0 139.0 4.01 Favored Pre-proline 0 CA--C 1.538 0.506 0 O-C-N 121.296 -0.877 . . . . 0.0 108.955 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 24.2 Cg_endo -87.77 -177.92 2.12 Favored 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 124.552 3.502 . . . . 0.0 110.655 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -73.4 176.17 6.28 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.386 -0.821 . . . . 0.0 109.253 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m120 57.13 21.15 6.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.137 -0.977 . . . . 0.0 108.713 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.78 140.57 18.13 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.314 -0.866 . . . . 0.0 109.626 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.06 -129.43 5.08 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.502 ' HA ' ' H ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -167.81 144.55 4.19 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 120.945 -1.327 . . . . 0.0 110.011 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CG ' ' N ' ' A' ' 20' ' ' ARG . 42.3 t80 -156.82 -177.75 6.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -129.99 102.94 6.49 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.189 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.573 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 1.2 m170 -49.34 162.64 0.13 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.478 0.656 . . . . 0.0 109.519 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.546 ' H ' ' CD2' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -62.44 -8.08 5.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.701 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 21' ' ' HIS . 8.1 p30 -81.07 9.68 6.32 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 74.73 30.74 0.98 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 175.09 128.72 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.946 -1.096 . . . . 0.0 110.488 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.573 ' CB ' ' H ' ' A' ' 21' ' ' HIS . 1.9 tp10 -139.78 -36.42 0.51 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.034 -1.041 . . . . 0.0 108.833 178.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 71.58 -167.61 0.14 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.965 0.888 . . . . 0.0 110.803 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -52.43 107.88 0.25 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.571 0.7 . . . . 0.0 109.756 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.502 ' H ' ' HA ' ' A' ' 18' ' ' CYS . 1.7 tmtt? -97.29 -179.38 4.48 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.486 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 46.0 m -92.05 172.66 8.29 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.037 -1.039 . . . . 0.0 109.449 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CD2' ' CD2' ' A' ' 87' ' ' PHE . 12.7 mt -91.01 -167.82 1.91 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.291 -0.881 . . . . 0.0 109.675 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.03 148.6 49.85 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.282 -0.886 . . . . 0.0 109.265 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 58.82 16.14 4.3 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.224 -0.922 . . . . 0.0 109.557 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -124.21 114.07 19.14 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.275 -0.891 . . . . 0.0 109.527 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -98.16 -170.95 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.288 -0.883 . . . . 0.0 109.151 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.76 155.45 19.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.566 -0.709 . . . . 0.0 109.498 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -166.2 71.74 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.273 -0.892 . . . . 0.0 109.42 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.77 -104.4 2.91 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -125.43 5.03 7.65 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.321 -1.105 . . . . 0.0 109.417 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.24 135.96 37.68 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.254 -0.904 . . . . 0.0 109.325 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.8 m -73.47 141.42 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.145 -0.972 . . . . 0.0 109.435 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.0 m -113.07 178.17 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 O-C-N 121.226 -0.921 . . . . 0.0 109.365 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.33 124.72 27.96 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.152 -0.967 . . . . 0.0 109.45 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -84.93 114.15 54.06 Favored Pre-proline 0 CA--C 1.536 0.406 0 O-C-N 121.289 -0.882 . . . . 0.0 109.396 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -89.45 -15.61 2.27 Favored 'Trans proline' 0 N--CA 1.478 0.585 0 C-N-CA 124.83 3.687 . . . . 0.0 110.236 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -144.02 76.38 15.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 121.226 -0.921 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -90.96 131.93 1.53 Allowed 'Trans proline' 0 N--CA 1.477 0.505 1 C-N-CA 125.628 4.219 . . . . 0.0 110.359 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.449 ' CG2' ' CG ' ' A' ' 51' ' ' GLU . 9.8 t -130.51 -129.5 0.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.19 -0.943 . . . . 0.0 109.738 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' N ' ' CG2' ' A' ' 48' ' ' THR . 3.9 m -140.59 -36.71 0.47 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -70.15 1.49 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.449 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 28.6 mm-40 -97.37 52.6 1.12 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 41.71 71.58 0.2 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.265 0.555 . . . . 0.0 109.637 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.468 HD21 ' C ' ' A' ' 56' ' ' CYS . 0.1 OUTLIER 65.5 92.46 0.07 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 122.867 1.318 . . . . 0.0 108.411 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.93 36.47 3.95 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 107.776 -2.13 . . . . 0.0 107.776 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.94 -12.47 6.49 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 107.964 -2.054 . . . . 0.0 107.964 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.468 ' C ' HD21 ' A' ' 53' ' ' ASN . 76.0 m -111.62 132.72 54.37 Favored 'General case' 0 N--CA 1.462 0.164 0 O-C-N 121.411 -1.052 . . . . 0.0 108.629 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' A' ' 92' ' ' CYS . 25.1 t0 -46.27 142.48 2.89 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.36 0.6 . . . . 0.0 110.349 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.86 -29.84 21.32 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.716 -0.615 . . . . 0.0 109.756 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -96.77 -7.12 34.57 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.2 -0.937 . . . . 0.0 109.527 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.94 157.34 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.14 -0.975 . . . . 0.0 109.717 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -78.0 161.5 27.44 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.299 -0.875 . . . . 0.0 108.886 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.0 t -135.4 144.87 46.8 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.117 -0.989 . . . . 0.0 109.808 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.49 143.53 30.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.298 -0.876 . . . . 0.0 109.157 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.35 15.34 4.55 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.292 -0.88 . . . . 0.0 109.338 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 . . . . . 0 C--N 1.329 -0.306 0 O-C-N 121.402 -0.811 . . . . 0.0 109.664 -179.829 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 121.332 0.587 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? 65.62 123.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.8 mm -137.28 109.18 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 121.03 -1.044 . . . . 0.0 109.809 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.58 159.48 20.64 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.203 -0.936 . . . . 0.0 108.724 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.8 m -136.49 139.13 42.08 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.064 -1.023 . . . . 0.0 109.44 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.75 88.77 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.315 -0.865 . . . . 0.0 109.234 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.6 m -72.74 94.82 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.228 -0.92 . . . . 0.0 109.67 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.7 t -111.97 35.17 3.83 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.334 -0.854 . . . . 0.0 108.986 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 144.62 29.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 O-C-N 121.407 -0.808 . . . . 0.0 109.35 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.402 ' C ' ' H ' ' A' ' 83' ' ' SER . 5.5 Cg_exo -46.32 131.27 14.8 Favored 'Trans proline' 0 N--CA 1.475 0.39 0 C-N-CA 123.687 2.925 . . . . 0.0 108.654 178.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.74 -17.8 0.33 Allowed 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.555 -0.716 . . . . 0.0 111.02 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 81' ' ' PRO . 24.6 p -58.68 106.22 0.38 Allowed 'General case' 0 CA--C 1.532 0.272 0 O-C-N 120.395 -1.441 . . . . 0.0 109.112 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -129.03 92.02 40.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 O-C-N 121.18 -0.95 . . . . 0.0 109.247 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -32.73 111.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.482 0.832 1 C-N-CA 125.547 4.165 . . . . 0.0 111.487 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.0 mt -80.49 -37.74 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CD2' ' CD2' ' A' ' 31' ' ' LEU . 6.6 m-85 -106.18 -105.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.02 22.86 9.47 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.772 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.4 -19.4 7.16 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 119.58 -1.295 . . . . 0.0 110.53 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.447 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 2.7 pt -63.45 -28.76 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 120.997 -1.296 . . . . 0.0 109.788 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.447 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 9.2 m-85 -132.69 105.61 7.28 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.031 -1.043 . . . . 0.0 109.592 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.409 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 64.3 m -125.65 89.6 3.06 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.207 -0.933 . . . . 0.0 109.392 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.2 m . . . . . 0 C--N 1.328 -0.332 0 O-C-N 121.252 -0.905 . . . . 0.0 109.366 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.406 0 CA-C-O 121.132 0.491 . . . . 0.0 110.022 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -62.2 104.18 0.46 Allowed 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.939 -1.101 . . . . 0.0 109.367 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.8 m -89.39 -107.58 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.352 -0.843 . . . . 0.0 109.389 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.419 HG11 ' H ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER 178.83 -45.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 O-C-N 121.248 -0.907 . . . . 0.0 109.447 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' H ' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -178.27 58.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.281 -0.887 . . . . 0.0 109.348 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' NZ ' ' CG ' ' A' ' 26' ' ' GLU . 17.0 mtpp -101.63 129.69 47.8 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.262 -0.899 . . . . 0.0 109.549 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.51 64.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.347 -0.846 . . . . 0.0 109.162 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 m -61.41 173.35 0.78 Allowed Pre-proline 0 C--N 1.33 -0.26 0 O-C-N 121.161 -0.962 . . . . 0.0 108.91 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -86.92 162.98 8.94 Favored 'Trans proline' 0 N--CA 1.478 0.597 1 C-N-CA 125.337 4.025 . . . . 0.0 110.324 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.1 172.25 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.288 -0.883 . . . . 0.0 109.443 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.421 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER 56.3 22.57 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.245 -0.91 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -162.4 128.23 3.45 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.259 -0.9 . . . . 0.0 109.772 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.18 -161.27 20.65 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.98 148.44 43.54 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.087 -1.243 . . . . 0.0 109.737 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.493 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 32.8 t80 -154.87 139.34 16.83 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.281 -0.887 . . . . 0.0 109.462 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -90.8 118.8 30.5 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.298 -0.876 . . . . 0.0 109.303 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 21' ' ' HIS . 20.4 m170 -54.28 145.46 17.67 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.28 -0.887 . . . . 0.0 109.497 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.403 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 7.2 mp -67.15 -0.86 3.67 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.36 -0.837 . . . . 0.0 109.62 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -105.57 40.94 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.208 -0.933 . . . . 0.0 109.461 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 63.02 2.76 1.09 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.478 -0.764 . . . . 0.0 110.238 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -94.31 177.57 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 120.923 -1.11 . . . . 0.0 108.963 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.403 ' CG ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -163.12 150.4 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.23 -0.919 . . . . 0.0 109.375 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -173.95 -178.76 1.58 Allowed 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.246 -0.909 . . . . 0.0 109.636 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.3 m -96.38 127.55 42.48 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.327 -0.858 . . . . 0.0 109.778 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 5.9 tttp -113.73 156.57 23.56 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 1.1 m -77.32 160.36 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.825 -1.172 . . . . 0.0 109.609 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.73 -165.37 0.62 Allowed 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.291 -0.88 . . . . 0.0 109.714 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.48 158.37 36.18 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.392 -0.817 . . . . 0.0 109.392 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 m120 59.49 15.99 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.285 -0.884 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 15' ' ' ASN . 17.4 m-85 -132.1 120.55 22.48 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.355 -0.841 . . . . 0.0 109.412 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 -172.81 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.187 -0.945 . . . . 0.0 109.45 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -106.69 156.87 18.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.648 -0.658 . . . . 0.0 109.35 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.05 100.09 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.205 -0.935 . . . . 0.0 109.564 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.77 -89.04 1.34 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.57 -3.85 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.239 -1.154 . . . . 0.0 109.488 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.86 147.94 50.02 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.22 -0.925 . . . . 0.0 109.243 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.1 m -81.18 142.51 33.14 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.138 -0.976 . . . . 0.0 109.316 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.9 m -117.17 179.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 O-C-N 121.245 -0.91 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.98 139.71 34.4 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.374 -0.829 . . . . 0.0 109.436 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.427 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 4.0 t-20 -116.42 128.46 25.98 Favored Pre-proline 0 CA--C 1.537 0.455 0 O-C-N 121.2 -0.938 . . . . 0.0 109.581 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 19.3 Cg_endo -91.65 -16.24 1.27 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 124.856 3.704 . . . . 0.0 109.983 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.53 89.44 6.82 Favored Pre-proline 0 CA--C 1.532 0.278 0 O-C-N 121.382 -0.824 . . . . 0.0 109.194 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -88.31 137.36 3.64 Favored 'Trans proline' 0 N--CA 1.48 0.685 0 C-N-CA 125.28 3.987 . . . . 0.0 110.598 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.1 t -124.81 -168.56 1.84 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.277 -0.89 . . . . 0.0 109.272 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.415 ' C ' ' H ' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -111.95 -27.55 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.221 -0.925 . . . . 0.0 109.003 179.724 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -67.64 -1.8 5.78 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.24 -0.913 . . . . 0.0 108.685 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 49' ' ' CYS . 7.4 pt-20 -94.13 50.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.82 70.87 0.24 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.169 0.509 . . . . 0.0 110.654 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 11.0 t-20 59.64 78.64 0.26 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.794 0.807 . . . . 0.0 109.191 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.37 -49.38 61.34 Favored Glycine 0 CA--C 1.519 0.326 0 N-CA-C 107.832 -2.107 . . . . 0.0 107.832 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -144.89 0.47 1.0 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 107.583 -2.207 . . . . 0.0 107.583 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASP . 58.3 m -111.31 114.49 27.71 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.601 -0.941 . . . . 0.0 109.107 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' CYS . 5.9 t0 -30.15 138.48 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.308 0.575 . . . . 0.0 111.691 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.19 -33.22 57.63 Favored 'General case' 0 C--N 1.333 -0.152 0 O-C-N 121.439 -0.788 . . . . 0.0 109.181 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.3 -10.79 48.35 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.316 -0.865 . . . . 0.0 108.974 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.85 163.78 16.24 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.334 -0.854 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 144.36 26.36 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.366 -0.834 . . . . 0.0 109.21 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.6 t -115.14 142.03 47.21 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.158 -0.964 . . . . 0.0 109.45 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.73 141.51 47.56 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.211 -0.931 . . . . 0.0 109.504 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.86 7.6 4.06 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.292 -0.88 . . . . 0.0 109.47 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 . . . . . 0 CA--C 1.531 0.241 0 O-C-N 121.277 -0.889 . . . . 0.0 109.579 -179.915 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -97.44 106.25 18.53 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.284 -0.885 . . . . 0.0 109.444 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.01 129.43 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.262 -0.899 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.3 151.71 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.222 -0.924 . . . . 0.0 109.406 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.77 142.05 51.46 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.285 -0.884 . . . . 0.0 109.609 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -140.68 106.56 5.16 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.35 -0.844 . . . . 0.0 109.19 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.5 m -71.55 145.25 49.21 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.348 -0.845 . . . . 0.0 109.617 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -120.69 31.58 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.326 -0.859 . . . . 0.0 109.304 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -105.02 169.53 7.01 Favored Pre-proline 0 C--N 1.33 -0.281 0 O-C-N 121.339 -0.851 . . . . 0.0 109.375 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -90.56 135.94 2.16 Favored 'Trans proline' 0 N--CA 1.477 0.554 1 C-N-CA 125.417 4.078 . . . . 0.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.17 6.34 3.5 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.244 -0.91 . . . . 0.0 109.552 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.43 127.92 47.87 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.278 -0.889 . . . . 0.0 109.473 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.466 ' H ' ' N ' ' A' ' 93' ' ' SER . 33.2 m-85 -144.59 139.51 15.58 Favored Pre-proline 0 CA--C 1.533 0.308 0 O-C-N 121.298 -0.876 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -35.28 138.55 0.13 Allowed 'Trans proline' 0 N--CA 1.483 0.871 1 C-N-CA 125.516 4.144 . . . . 0.0 110.603 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.0 mt -103.44 -58.87 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.218 -0.926 . . . . 0.0 109.545 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.407 ' CD2' HD13 ' A' ' 90' ' ' ILE . 87.3 m-85 -97.79 -13.63 21.24 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.172 -0.955 . . . . 0.0 109.533 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.6 -45.74 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.87 -0.42 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.413 HD13 ' CE2' ' A' ' 91' ' ' PHE . 13.9 pt -68.55 -36.48 74.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 121.273 -1.134 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.493 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 11.1 m-85 -131.0 143.7 50.92 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.281 -0.887 . . . . 0.0 109.315 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.75 119.04 34.22 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.466 ' N ' ' H ' ' A' ' 84' ' ' TYR . 7.2 t . . . . . 0 C--N 1.33 -0.257 0 O-C-N 121.228 -0.92 . . . . 0.0 109.44 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.476 ' CD2' ' H ' ' A' ' 5' ' ' HIS . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.216 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -96.98 31.6 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.237 -0.915 . . . . 0.0 109.433 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p 35.1 -151.52 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.187 0.517 . . . . 0.0 111.378 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 t -139.76 -93.82 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 O-C-N 121.096 -1.002 . . . . 0.0 109.513 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -114.23 74.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.144 -0.972 . . . . 0.0 109.338 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.59 162.75 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.293 -0.88 . . . . 0.0 109.676 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.19 9.02 37.81 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.343 -0.848 . . . . 0.0 109.283 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 10.5 t -54.51 139.91 57.85 Favored Pre-proline 0 CA--C 1.538 0.485 0 O-C-N 121.322 -0.861 . . . . 0.0 109.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 29.4 Cg_endo -90.19 177.65 2.37 Favored 'Trans proline' 0 N--CA 1.48 0.717 0 C-N-CA 124.67 3.58 . . . . 0.0 110.881 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -62.98 175.97 0.78 Allowed 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.372 -0.83 . . . . 0.0 109.178 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 55.31 22.08 4.58 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 121.243 -0.911 . . . . 0.0 108.828 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.3 t -158.55 123.92 4.37 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.46 -0.775 . . . . 0.0 109.14 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.74 167.09 17.13 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -97.56 163.23 12.93 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.116 -1.226 . . . . 0.0 109.712 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -152.69 100.87 2.58 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.278 -0.889 . . . . 0.0 109.535 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 4.0 ttt180 -99.25 79.0 2.27 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.183 -0.948 . . . . 0.0 109.129 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.409 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 91.7 m-70 -154.36 139.39 17.35 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.255 -0.903 . . . . 0.0 110.099 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 67.58 0.74 2.31 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.648 -0.658 . . . . 0.0 110.156 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -129.64 -3.31 4.77 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.04 -1.037 . . . . 0.0 109.343 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 54.51 22.74 4.08 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.353 -0.842 . . . . 0.0 108.849 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.07 154.09 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.564 -0.71 . . . . 0.0 109.099 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.21 122.4 28.35 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.245 -0.909 . . . . 0.0 110.034 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.53 166.72 10.21 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -123.12 97.61 5.5 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.086 -1.009 . . . . 0.0 109.45 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -104.79 141.85 35.76 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.385 -0.822 . . . . 0.0 109.059 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.8 m -63.5 154.88 31.02 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.146 -0.972 . . . . 0.0 109.818 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.9 mt -69.51 -167.45 0.13 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.3 -0.875 . . . . 0.0 109.546 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.61 157.14 37.2 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 121.271 -0.893 . . . . 0.0 109.388 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.1 14.32 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.291 -0.88 . . . . 0.0 109.358 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -126.17 116.38 21.24 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.375 -0.828 . . . . 0.0 109.213 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.02 -179.35 4.02 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.168 -0.958 . . . . 0.0 109.397 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -104.05 142.3 34.7 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.385 -0.822 . . . . 0.0 109.46 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -157.83 87.19 0.93 Allowed 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.25 -0.906 . . . . 0.0 109.525 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.63 -105.96 3.36 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.45 5.04 5.66 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.177 -1.19 . . . . 0.0 109.426 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -138.89 130.44 27.35 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.235 -0.916 . . . . 0.0 109.217 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.1 m -71.09 136.27 48.15 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.301 -0.875 . . . . 0.0 109.587 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.0 m -108.33 -179.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 O-C-N 121.253 -0.905 . . . . 0.0 109.858 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.95 127.27 32.39 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.549 -0.72 . . . . 0.0 109.33 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 2.0 t-20 -110.88 123.63 34.96 Favored Pre-proline 0 CA--C 1.535 0.401 0 O-C-N 121.274 -0.891 . . . . 0.0 109.372 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.6 Cg_endo -90.75 -15.6 1.69 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 124.735 3.623 . . . . 0.0 110.303 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -132.97 85.14 46.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.278 -0.889 . . . . 0.0 109.723 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -91.44 167.02 3.46 Favored 'Trans proline' 0 N--CA 1.476 0.486 1 C-N-CA 125.624 4.216 . . . . 0.0 109.904 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 t -152.7 179.5 8.57 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.117 -0.99 . . . . 0.0 109.883 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 m -111.5 -29.51 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -57.95 -17.99 20.54 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.402 -0.811 . . . . 0.0 108.826 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.0 66.63 1.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.0 p30 42.13 53.01 4.41 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.074 0.464 . . . . 0.0 111.301 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.477 HD21 ' HA ' ' A' ' 58' ' ' ALA . 6.8 t30 62.61 65.84 0.81 Allowed 'General case' 0 N--CA 1.462 0.169 0 O-C-N 120.923 -1.11 . . . . 0.0 108.874 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.38 -51.11 5.08 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.79 -19.76 78.67 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.65 154.76 24.44 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.0 -1.294 . . . . 0.0 110.417 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.431 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -55.29 -94.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.373 -0.83 . . . . 0.0 109.823 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.477 ' HA ' HD21 ' A' ' 53' ' ' ASN . . . -154.15 -15.35 0.13 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.334 -0.854 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.74 -17.6 6.82 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.292 -0.88 . . . . 0.0 109.484 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.99 178.78 2.55 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.272 -0.892 . . . . 0.0 109.427 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.67 124.62 49.19 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.273 -0.892 . . . . 0.0 109.592 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.92 157.91 15.89 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.423 -0.798 . . . . 0.0 109.389 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.55 151.63 24.53 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.11 -0.994 . . . . 0.0 109.554 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -144.95 -4.36 0.74 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.169 -0.957 . . . . 0.0 109.559 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--N 1.329 -0.283 0 O-C-N 121.239 -0.913 . . . . 0.0 109.508 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.449 ' H ' ' HD3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -153.34 163.69 39.47 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.238 -0.914 . . . . 0.0 109.377 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mm -130.33 154.02 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 121.289 -0.882 . . . . 0.0 109.481 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.54 151.63 51.86 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.255 -0.903 . . . . 0.0 109.512 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.1 m -154.21 145.83 23.25 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.239 -0.913 . . . . 0.0 109.22 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -151.11 118.75 6.1 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.232 -0.917 . . . . 0.0 109.75 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 91.62 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -81.84 -10.89 59.19 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.319 -0.863 . . . . 0.0 110.077 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 174.31 0.21 Allowed Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.206 -0.934 . . . . 0.0 109.446 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -88.83 -52.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.478 0.569 1 C-N-CA 125.453 4.102 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -79.68 14.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.355 -0.841 . . . . 0.0 108.97 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 p -79.82 126.73 31.36 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.502 -0.749 . . . . 0.0 109.453 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -142.42 75.1 19.67 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.348 -0.845 . . . . 0.0 109.332 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -30.6 144.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.484 0.94 1 C-N-CA 126.14 4.56 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 mt -114.84 -53.87 2.61 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.252 -0.905 . . . . 0.0 109.71 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.402 ' O ' ' CB ' ' A' ' 88' ' ' ASP . 59.5 m-85 -102.78 -11.7 18.14 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.223 -0.923 . . . . 0.0 109.579 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER 166.0 -39.64 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.07 11.11 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.404 HG13 ' CD2' ' A' ' 91' ' ' PHE . 3.2 pt -88.72 5.02 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 O-C-N 121.201 -1.176 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.404 ' CD2' HG13 ' A' ' 90' ' ' ILE . 75.8 m-85 -151.87 49.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.312 -0.868 . . . . 0.0 109.522 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.4 121.8 25.61 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.144 -0.973 . . . . 0.0 109.471 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 O-C-N 121.207 -0.933 . . . . 0.0 109.56 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 58.79 -94.24 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.311 -0.868 . . . . 0.0 109.463 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 62.37 113.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 109.819 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.454 ' CG2' ' H ' ' A' ' 9' ' ' LYS . 2.5 p -160.47 -172.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 O-C-N 121.071 -1.018 . . . . 0.0 109.427 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' H ' ' CG2' ' A' ' 8' ' ' VAL . 10.3 tttm 56.94 20.8 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.253 -0.904 . . . . 0.0 109.423 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.421 ' HZ3' ' HB3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -165.07 169.24 16.49 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.312 -0.868 . . . . 0.0 109.425 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -127.23 -179.58 4.95 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.271 -0.893 . . . . 0.0 109.578 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -151.88 138.04 11.56 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -77.4 -173.92 1.99 Allowed 'Trans proline' 0 N--CA 1.485 0.988 0 C-N-CA 124.098 3.199 . . . . 0.0 110.789 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -77.76 173.28 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 55.35 24.7 6.81 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 121.163 -0.961 . . . . 0.0 108.549 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.6 p -160.32 133.43 6.68 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.585 -0.697 . . . . 0.0 109.202 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.27 167.53 12.71 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.53 162.87 17.82 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.099 -1.236 . . . . 0.0 109.862 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -169.42 119.8 0.68 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.37 -0.831 . . . . 0.0 109.219 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttt-85 -74.25 120.86 20.4 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.235 -0.916 . . . . 0.0 109.159 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -54.64 142.11 29.42 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.211 -0.931 . . . . 0.0 109.361 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' H ' ' CD1' ' A' ' 22' ' ' LEU . 6.3 mp -66.9 -1.79 4.43 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.353 -0.842 . . . . 0.0 109.489 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -103.36 30.72 4.75 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.277 -0.889 . . . . 0.0 109.348 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.48 -12.06 0.86 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.193 0.52 . . . . 0.0 109.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.424 ' H ' ' C ' ' A' ' 23' ' ' ASP . 3.8 ttt180 -75.93 174.57 9.78 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.054 -1.029 . . . . 0.0 109.477 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HB3' ' HZ3' ' A' ' 10' ' ' LYS . 28.6 mt-10 -140.1 132.58 28.58 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.227 -0.921 . . . . 0.0 109.53 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -159.85 162.67 34.72 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.269 -0.895 . . . . 0.0 109.401 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.43 126.42 55.32 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.255 -0.903 . . . . 0.0 109.004 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -99.44 174.65 6.17 Favored 'General case' 0 C--O 1.225 -0.199 0 O-C-N 121.321 -0.862 . . . . 0.0 109.238 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.82 170.0 17.27 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.046 -1.034 . . . . 0.0 110.241 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.445 ' CD2' ' CD2' ' A' ' 87' ' ' PHE . 9.1 mt -76.72 -166.28 0.65 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.296 -0.878 . . . . 0.0 109.749 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.18 159.35 31.7 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.326 -0.859 . . . . 0.0 109.738 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 m120 56.99 16.17 2.7 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.496 -0.753 . . . . 0.0 109.92 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -117.33 179.98 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.226 -0.922 . . . . 0.0 109.039 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -157.73 -174.76 5.01 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.337 -0.852 . . . . 0.0 108.96 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -117.95 135.02 54.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.481 -0.762 . . . . 0.0 109.517 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -144.35 71.94 1.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.376 -0.827 . . . . 0.0 109.378 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.52 -103.79 2.5 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -124.67 1.11 8.19 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.259 -1.142 . . . . 0.0 109.412 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -133.15 135.63 45.27 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.202 -0.936 . . . . 0.0 109.224 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.3 m -74.01 151.48 40.25 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.095 -1.003 . . . . 0.0 109.549 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.8 m -129.58 164.28 32.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 121.181 -0.949 . . . . 0.0 109.793 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.81 148.71 19.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.359 -0.838 . . . . 0.0 109.399 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.471 HD21 ' CD ' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -120.84 112.9 33.38 Favored Pre-proline 0 CA--C 1.536 0.423 0 O-C-N 121.312 -0.867 . . . . 0.0 109.527 -179.757 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.471 ' CD ' HD21 ' A' ' 44' ' ' ASN . 12.8 Cg_endo -89.64 -23.35 0.78 Allowed 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 124.928 3.752 . . . . 0.0 109.916 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.431 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 29.4 m120 -133.02 84.53 48.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 121.391 -0.818 . . . . 0.0 109.073 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -90.5 146.98 4.17 Favored 'Trans proline' 0 N--CA 1.477 0.513 1 C-N-CA 125.551 4.167 . . . . 0.0 110.71 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -153.58 -151.55 0.38 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.354 -0.841 . . . . 0.0 108.995 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.402 ' C ' ' H ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -116.5 -34.16 4.66 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.045 -1.034 . . . . 0.0 108.644 179.476 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -69.84 2.86 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.53 -0.731 . . . . 0.0 109.361 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 49' ' ' CYS . 6.4 pt-20 -98.32 52.31 1.03 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.174 -0.954 . . . . 0.0 108.771 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 42.57 69.83 0.34 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.536 0.684 . . . . 0.0 109.691 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.463 HD21 ' N ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER 61.18 93.09 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 122.25 1.024 . . . . 0.0 108.889 -179.256 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.55 -32.34 54.8 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 107.789 -2.124 . . . . 0.0 107.789 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.53 7.38 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 107.461 -2.256 . . . . 0.0 107.461 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.463 ' N ' HD21 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -105.74 71.55 0.92 Allowed 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.565 -0.962 . . . . 0.0 110.575 -179.788 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 30.2 -92.55 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.492 0.663 . . . . 0.0 112.227 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -160.25 -19.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.185 -0.947 . . . . 0.0 108.878 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.01 -9.82 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.8 147.14 50.81 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.391 -0.818 . . . . 0.0 109.154 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 125.56 30.58 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.257 -0.902 . . . . 0.0 109.481 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.39 135.88 41.13 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.453 -0.779 . . . . 0.0 108.953 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.78 142.76 51.45 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.147 -0.97 . . . . 0.0 109.85 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.91 0.03 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.334 -0.854 . . . . 0.0 109.42 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 O-C-N 121.303 -0.873 . . . . 0.0 109.708 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.9 161.98 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.285 -0.884 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mm -142.46 114.0 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 O-C-N 121.304 -0.873 . . . . 0.0 109.532 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.2 152.14 23.86 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.304 -0.873 . . . . 0.0 109.216 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -130.04 140.62 50.83 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.232 -0.918 . . . . 0.0 109.782 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -143.07 121.1 12.08 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.419 -0.801 . . . . 0.0 109.089 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 106.85 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.184 -0.947 . . . . 0.0 109.517 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.7 t -78.93 43.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.295 -0.878 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.95 168.62 9.93 Favored Pre-proline 0 CA--C 1.532 0.281 0 O-C-N 121.244 -0.91 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -87.28 -48.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.658 0 C-N-CA 125.197 3.931 . . . . 0.0 110.107 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.04 16.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.235 -0.916 . . . . 0.0 109.059 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 p -66.27 116.15 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.397 -0.815 . . . . 0.0 109.545 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -139.2 69.33 40.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 121.293 -0.88 . . . . 0.0 109.18 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -31.07 111.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.48 0.686 1 C-N-CA 126.336 4.691 . . . . 0.0 111.142 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.6 mt -75.0 -35.25 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.445 ' CD2' ' CD2' ' A' ' 31' ' ' LEU . 6.7 m-85 -109.75 -107.14 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -116.76 25.61 10.43 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 121.685 -0.635 . . . . 0.0 109.617 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.85 -19.33 12.3 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 119.716 -1.23 . . . . 0.0 110.24 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.45 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 0.3 OUTLIER -65.39 -5.43 2.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 O-C-N 120.998 -1.295 . . . . 0.0 109.737 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.45 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 40.7 m-85 -139.84 79.77 1.73 Allowed 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.02 -1.05 . . . . 0.0 109.737 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 20.3 m -90.21 100.13 13.02 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.196 -0.94 . . . . 0.0 109.109 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 O-C-N 121.279 -0.888 . . . . 0.0 109.697 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.412 ' C ' ' H ' ' A' ' 7' ' ' CYS . 32.9 p-80 . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.48 10.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.241 -0.912 . . . . 0.0 109.272 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.412 ' H ' ' C ' ' A' ' 5' ' ' HIS . 77.8 m 58.45 172.52 0.06 Allowed 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.368 -0.832 . . . . 0.0 109.616 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 t -99.71 -79.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 O-C-N 121.181 -0.949 . . . . 0.0 109.599 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -112.08 -87.81 0.54 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.222 -0.924 . . . . 0.0 109.482 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HG2' ' H ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER 56.77 -135.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.217 -0.927 . . . . 0.0 109.411 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.458 ' H ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -161.4 -90.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.253 -0.905 . . . . 0.0 109.596 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 13.7 t 65.83 126.12 0.03 OUTLIER Pre-proline 0 CA--C 1.54 0.571 0 O-C-N 121.68 -0.638 . . . . 0.0 109.314 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 29.4 Cg_endo -87.34 177.42 3.83 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 124.387 3.392 . . . . 0.0 110.604 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -62.19 178.44 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.29 -0.881 . . . . 0.0 109.325 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 55.22 22.44 4.71 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.268 -0.895 . . . . 0.0 109.09 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -160.5 125.83 3.89 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.3 -0.875 . . . . 0.0 109.528 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.52 169.3 21.31 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 109.286 -1.525 . . . . 0.0 109.286 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.66 173.07 7.09 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.071 -1.252 . . . . 0.0 109.888 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -169.92 110.82 0.43 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.325 -0.859 . . . . 0.0 109.003 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 13.2 ttt-85 -113.0 77.93 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.14 -0.975 . . . . 0.0 109.633 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.553 ' CD2' ' HG ' ' A' ' 93' ' ' SER . 85.9 m-70 -154.85 163.02 40.88 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.229 -0.92 . . . . 0.0 110.156 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 70.91 -40.0 0.46 Allowed 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.881 -0.512 . . . . 0.0 110.565 179.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 21' ' ' HIS . 0.8 OUTLIER -108.58 5.54 25.14 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 120.909 -1.119 . . . . 0.0 109.417 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 54.93 22.52 4.38 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.376 -0.828 . . . . 0.0 108.889 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -140.51 148.1 40.54 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.498 -0.751 . . . . 0.0 109.345 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.08 143.34 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.285 -0.885 . . . . 0.0 109.638 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -139.46 166.28 25.0 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.308 -0.87 . . . . 0.0 109.306 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -124.62 92.36 3.64 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.132 -0.98 . . . . 0.0 109.51 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -87.03 155.76 20.02 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -77.26 152.38 34.67 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 120.853 -1.155 . . . . 0.0 109.81 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.444 ' CD2' ' CD1' ' A' ' 87' ' ' PHE . 6.5 mt -59.45 -167.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.422 -0.799 . . . . 0.0 109.782 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mt -77.91 163.88 25.62 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.256 -0.903 . . . . 0.0 109.169 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 57.82 17.32 4.13 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.22 -0.925 . . . . 0.0 109.428 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -122.71 177.7 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.309 -0.87 . . . . 0.0 109.333 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.09 -179.06 7.53 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.323 -0.86 . . . . 0.0 108.818 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -123.86 134.45 53.57 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.307 -0.871 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 65.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.313 -0.867 . . . . 0.0 109.206 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.04 -101.51 1.27 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.9 -0.56 5.96 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.244 -1.151 . . . . 0.0 109.335 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -128.84 131.88 47.73 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.247 -0.908 . . . . 0.0 109.222 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.9 m -79.59 151.55 30.57 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.191 -0.943 . . . . 0.0 109.646 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.9 m -131.46 170.11 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 121.191 -0.943 . . . . 0.0 109.826 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.0 145.68 40.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.357 -0.839 . . . . 0.0 109.752 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.11 67.76 75.07 Favored Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 121.314 -0.866 . . . . 0.0 109.559 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -34.34 -33.72 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.769 1 C-N-CA 126.013 4.475 . . . . 0.0 110.455 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -131.07 91.58 35.79 Favored Pre-proline 0 CA--C 1.532 0.258 0 O-C-N 121.363 -0.836 . . . . 0.0 109.404 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -87.33 169.73 7.08 Favored 'Trans proline' 0 N--CA 1.48 0.677 0 C-N-CA 125.147 3.898 . . . . 0.0 110.168 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.6 t -155.97 -175.31 5.36 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.229 -0.919 . . . . 0.0 109.659 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.3 m -111.05 -30.69 7.39 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -18.37 14.58 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 121.384 -0.822 . . . . 0.0 109.042 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -74.04 66.39 1.2 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.464 -0.772 . . . . 0.0 108.934 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.9 p30 42.08 53.44 4.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.123 0.487 . . . . 0.0 111.23 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.496 HD21 ' CA ' ' A' ' 58' ' ' ALA . 7.1 t30 62.34 67.41 0.73 Allowed 'General case' 0 N--CA 1.463 0.184 0 O-C-N 120.936 -1.102 . . . . 0.0 108.945 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.01 -49.18 5.14 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 108.711 -1.756 . . . . 0.0 108.711 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.71 -21.34 77.02 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.413 ' HB3' HD22 ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.86 152.87 27.44 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 121.132 -1.217 . . . . 0.0 110.177 -179.804 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.424 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -52.8 -92.3 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 O-C-N 121.452 -0.78 . . . . 0.0 109.918 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.496 ' CA ' HD21 ' A' ' 53' ' ' ASN . . . -151.89 -27.99 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.268 -0.895 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -113.28 -12.06 13.12 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.243 -0.911 . . . . 0.0 109.421 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.43 177.93 2.66 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.267 -0.895 . . . . 0.0 109.391 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 120.81 41.93 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.126 -0.984 . . . . 0.0 109.658 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.94 151.5 19.36 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.273 -0.892 . . . . 0.0 109.243 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.37 152.36 35.65 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.07 -1.019 . . . . 0.0 109.5 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -145.05 -18.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.272 -0.893 . . . . 0.0 109.574 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--N 1.33 -0.242 0 O-C-N 121.178 -0.951 . . . . 0.0 109.511 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.4 139.97 49.05 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.164 -0.96 . . . . 0.0 109.519 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -137.33 142.25 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 121.261 -0.899 . . . . 0.0 109.276 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.34 162.71 28.45 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.188 -0.945 . . . . 0.0 109.455 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.95 140.31 9.16 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.211 -0.931 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -144.43 116.92 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.329 -0.857 . . . . 0.0 109.091 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -88.2 86.52 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.269 -0.894 . . . . 0.0 109.091 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.4 t -81.13 29.6 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.296 -0.877 . . . . 0.0 109.384 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 78' ' ' CYS . 0.1 OUTLIER -91.75 176.41 2.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 121.306 -0.871 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.411 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 10.6 Cg_endo -86.68 136.46 4.47 Favored 'Trans proline' 0 N--CA 1.476 0.488 0 C-N-CA 125.265 3.977 . . . . 0.0 109.766 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 66.04 6.52 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.358 -0.839 . . . . 0.0 109.063 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 54.3 p -66.6 121.3 15.05 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.315 -0.866 . . . . 0.0 109.076 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 83' ' ' SER . 9.2 m-85 -143.33 79.47 14.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 O-C-N 121.247 -0.908 . . . . 0.0 109.447 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -30.66 117.17 0.06 OUTLIER 'Trans proline' 0 N--CA 1.482 0.804 1 C-N-CA 125.96 4.44 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.9 mt -75.95 -27.91 57.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.444 ' CD1' ' CD2' ' A' ' 31' ' ' LEU . 71.2 m-85 -121.0 -110.08 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.53 31.2 6.5 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.535 -0.728 . . . . 0.0 109.833 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.77 49.78 1.9 Allowed Glycine 0 CA--C 1.529 0.948 0 C-N-CA 119.656 -1.259 . . . . 0.0 110.149 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -129.45 1.54 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 O-C-N 121.158 -1.201 . . . . 0.0 109.036 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -153.71 39.87 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.385 -0.822 . . . . 0.0 109.331 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 m -67.0 111.55 3.89 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.248 -0.907 . . . . 0.0 109.355 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.553 ' HG ' ' CD2' ' A' ' 21' ' ' HIS . 33.2 t . . . . . 0 C--N 1.33 -0.267 0 O-C-N 121.195 -0.941 . . . . 0.0 109.521 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.425 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.167 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -60.04 -13.71 12.93 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.238 -0.914 . . . . 0.0 109.564 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 m 57.12 177.64 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.28 -0.887 . . . . 0.0 109.592 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.02 -69.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 121.175 -0.953 . . . . 0.0 109.491 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 -2.69 12.45 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.283 -0.885 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HZ2' ' H ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -69.16 156.25 39.02 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.221 -0.924 . . . . 0.0 109.406 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -154.94 -23.63 0.12 Allowed 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.267 -0.896 . . . . 0.0 109.804 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.5 m 60.77 169.96 0.08 OUTLIER Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 121.163 -0.961 . . . . 0.0 109.087 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -85.94 169.69 8.87 Favored 'Trans proline' 0 N--CA 1.478 0.606 0 C-N-CA 125.064 3.843 . . . . 0.0 110.533 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -54.25 161.64 1.27 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.321 -0.862 . . . . 0.0 109.654 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 34' ' ' TYR . 4.7 m-80 62.59 25.79 15.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.301 -0.875 . . . . 0.0 109.529 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -162.57 141.22 8.82 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.144 -0.972 . . . . 0.0 109.924 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.02 -177.67 17.79 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.77 159.04 15.51 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.233 -1.157 . . . . 0.0 109.84 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -157.1 97.21 1.65 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -124.21 84.13 2.24 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.142 -0.974 . . . . 0.0 110.359 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.466 ' NE2' ' CZ ' ' A' ' 19' ' ' PHE . 5.6 p80 -175.63 -38.05 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.019 -1.05 . . . . 0.0 110.183 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.417 ' N ' ' CG ' ' A' ' 21' ' ' HIS . 6.0 mt -75.04 -5.17 42.64 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.084 -1.01 . . . . 0.0 109.687 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -142.99 11.09 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.294 -0.879 . . . . 0.0 108.838 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 54.78 20.0 2.83 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.412 -0.805 . . . . 0.0 109.365 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mtt85 -138.31 149.15 45.38 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.394 -0.816 . . . . 0.0 108.918 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -81.84 116.62 21.59 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.168 -0.957 . . . . 0.0 109.965 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.21 160.81 28.31 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.352 -0.843 . . . . 0.0 109.28 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 m -113.99 108.31 16.85 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.272 -0.892 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -93.8 172.48 8.22 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.253 -0.904 . . . . 0.0 108.958 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.482 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.2 m -97.62 150.76 20.8 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 120.895 -1.128 . . . . 0.0 109.239 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.412 HD23 ' CD2' ' A' ' 87' ' ' PHE . 68.7 mt -61.0 -164.73 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.082 -1.011 . . . . 0.0 109.725 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.13 167.21 22.28 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.144 -0.972 . . . . 0.0 109.619 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 56.73 19.19 4.19 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.206 -0.934 . . . . 0.0 109.276 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 23.7 m-85 -128.29 175.45 8.46 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.319 -0.863 . . . . 0.0 109.429 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.53 -172.7 3.81 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -115.46 140.68 48.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.43 -0.794 . . . . 0.0 109.484 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -163.93 87.28 0.5 Allowed 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.221 -0.924 . . . . 0.0 109.384 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.56 -117.91 5.93 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -120.52 12.74 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.302 -1.117 . . . . 0.0 109.419 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -146.66 139.61 25.37 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.239 -0.913 . . . . 0.0 109.183 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.5 m -70.41 150.8 45.87 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.129 -0.982 . . . . 0.0 109.15 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.1 m -126.33 174.21 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 O-C-N 121.141 -0.974 . . . . 0.0 109.687 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.7 149.41 50.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.254 -0.903 . . . . 0.0 109.454 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.73 67.69 51.28 Favored Pre-proline 0 C--N 1.331 -0.234 0 O-C-N 121.23 -0.919 . . . . 0.0 109.687 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -34.54 -43.77 0.38 Allowed 'Trans proline' 0 N--CA 1.482 0.807 1 C-N-CA 125.954 4.436 . . . . 0.0 110.461 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -129.07 89.0 49.81 Favored Pre-proline 0 CA--C 1.533 0.289 0 O-C-N 121.318 -0.864 . . . . 0.0 109.105 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -88.99 143.46 4.89 Favored 'Trans proline' 0 N--CA 1.477 0.541 1 C-N-CA 125.399 4.066 . . . . 0.0 110.604 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 t -131.86 -163.98 1.4 Allowed 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.341 -0.85 . . . . 0.0 109.159 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.427 ' C ' ' H ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -112.45 -27.0 8.43 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.244 -0.91 . . . . 0.0 108.753 179.467 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.61 1.82 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.1 pt-20 -100.82 51.03 0.87 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 p30 41.56 72.12 0.18 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.285 0.564 . . . . 0.0 110.389 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.458 HD21 ' C ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER 61.68 89.48 0.08 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 122.598 1.189 . . . . 0.0 108.425 -179.675 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.81 35.13 4.58 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 107.973 -2.051 . . . . 0.0 107.973 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.67 -11.55 7.04 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 107.981 -2.048 . . . . 0.0 107.981 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.458 ' C ' HD21 ' A' ' 53' ' ' ASN . 62.4 m -111.09 128.74 55.97 Favored 'General case' 0 C--O 1.23 0.077 0 O-C-N 121.298 -1.119 . . . . 0.0 108.5 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HB2' ' H ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -38.56 129.59 1.41 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.361 0.601 . . . . 0.0 111.03 -178.636 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.63 -24.03 7.66 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.598 -0.689 . . . . 0.0 109.543 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.69 -16.94 19.72 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.204 -0.935 . . . . 0.0 109.474 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.404 ' H ' ' HB2' ' A' ' 57' ' ' ASP . . . -75.7 166.28 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.199 -0.938 . . . . 0.0 109.657 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -95.68 106.05 18.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.7 t -79.7 149.61 31.15 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.265 -0.897 . . . . 0.0 109.782 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.33 141.59 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.32 -0.862 . . . . 0.0 108.939 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -145.28 0.71 0.92 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.18 -0.95 . . . . 0.0 109.481 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--N 1.331 -0.196 0 O-C-N 121.23 -0.919 . . . . 0.0 109.385 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -115.42 135.56 53.99 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.222 -0.924 . . . . 0.0 109.507 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.96 130.02 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 121.386 -0.821 . . . . 0.0 109.089 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.66 142.56 50.7 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.073 -1.017 . . . . 0.0 109.676 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 m -117.62 113.96 22.69 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.293 -0.88 . . . . 0.0 109.28 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -116.5 120.4 38.63 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.206 -0.934 . . . . 0.0 109.036 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 151.41 41.65 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.073 -1.017 . . . . 0.0 108.925 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -107.89 -4.27 18.12 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.199 -0.938 . . . . 0.0 109.513 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.67 170.14 16.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.26 -0.9 . . . . 0.0 109.278 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.409 ' C ' ' H ' ' A' ' 83' ' ' SER . 11.0 Cg_endo -87.0 -49.53 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.662 1 C-N-CA 125.335 4.023 . . . . 0.0 110.076 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -82.61 21.89 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.288 -0.883 . . . . 0.0 108.906 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.409 ' H ' ' C ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -70.1 121.15 16.93 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.501 -0.749 . . . . 0.0 109.545 -179.605 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -140.0 87.57 12.42 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 121.322 -0.861 . . . . 0.0 108.967 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -30.65 110.09 0.04 OUTLIER 'Trans proline' 0 N--CA 1.483 0.867 1 C-N-CA 125.764 4.31 . . . . 0.0 111.214 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HG ' ' CE1' ' A' ' 5' ' ' HIS . 1.1 mm? -67.76 -20.68 65.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CD2' HD23 ' A' ' 31' ' ' LEU . 84.5 m-85 -142.86 -105.68 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -111.55 23.51 13.85 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.086 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.3 25.99 5.6 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 119.458 -1.353 . . . . 0.0 110.704 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.449 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 2.0 pt -96.76 -29.26 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 120.883 -1.363 . . . . 0.0 108.806 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.449 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 5.0 m-85 -137.29 107.14 6.26 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.39 -0.819 . . . . 0.0 109.162 179.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 73.6 m -99.82 102.86 14.41 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.971 -1.08 . . . . 0.0 109.197 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.425 ' HB3' ' CD2' ' A' ' 5' ' ' HIS . 30.1 t . . . . . 0 C--N 1.329 -0.311 0 O-C-N 121.22 -0.925 . . . . 0.0 109.534 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.462 ' CD2' ' CE1' ' A' ' 21' ' ' HIS . 2.7 m-70 . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.2 -138.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.254 -0.904 . . . . 0.0 109.454 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.55 -173.75 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.297 -0.877 . . . . 0.0 109.561 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -126.45 -60.05 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 121.271 -0.893 . . . . 0.0 109.427 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -163.98 55.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.28 -0.887 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.494 ' HZ3' ' CA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -85.98 1.59 49.58 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.19 -0.944 . . . . 0.0 109.649 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.14 64.45 0.36 Allowed 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.447 -0.783 . . . . 0.0 109.968 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 28' ' ' CYS . 33.2 t -104.7 138.21 19.45 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -82.37 -179.95 5.01 Favored 'Trans proline' 0 N--CA 1.484 0.926 0 C-N-CA 124.338 3.359 . . . . 0.0 111.151 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -77.99 177.87 7.93 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 121.429 -0.794 . . . . 0.0 109.027 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m120 58.97 27.95 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.098 -1.001 . . . . 0.0 108.409 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.96 136.69 17.06 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.411 ' HA3' ' CE2' ' A' ' 91' ' ' PHE . . . -100.36 168.25 20.77 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.12 171.06 8.84 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.318 -1.107 . . . . 0.0 109.872 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.456 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -169.89 89.42 0.17 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -117.36 86.88 2.6 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.09 -1.006 . . . . 0.0 110.219 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.462 ' CE1' ' CD2' ' A' ' 5' ' ' HIS . 0.4 OUTLIER -176.31 175.45 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.153 -0.967 . . . . 0.0 109.609 179.299 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.419 ' HG ' ' CG ' ' A' ' 21' ' ' HIS . 11.9 mt 72.34 -46.65 0.65 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.05 9.47 15.97 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.202 -0.936 . . . . 0.0 108.474 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 53.07 25.84 4.42 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -120.66 141.99 49.86 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.339 -0.851 . . . . 0.0 109.491 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.44 ' HB3' ' HZ2' ' A' ' 10' ' ' LYS . 16.9 mt-10 -83.74 122.42 28.62 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.341 -0.849 . . . . 0.0 109.619 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.494 ' CA ' ' HZ3' ' A' ' 10' ' ' LYS . 3.1 mt-10 -129.24 157.65 41.25 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.206 -0.933 . . . . 0.0 109.598 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -130.13 101.3 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.741 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.524 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 3.4 ttmm -88.54 174.08 8.29 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.512 -0.742 . . . . 0.0 109.116 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.524 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 15.2 m -85.6 162.43 18.85 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 120.918 -1.114 . . . . 0.0 109.325 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' A' ' 87' ' ' PHE . 15.6 mt -77.99 -169.06 1.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.185 -0.947 . . . . 0.0 109.763 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.0 154.51 41.85 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.322 -0.861 . . . . 0.0 109.586 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 57.44 16.72 3.39 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.319 -0.863 . . . . 0.0 109.546 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -126.47 114.16 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.215 -0.928 . . . . 0.0 109.411 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' CE ' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -93.13 -171.99 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.291 -0.88 . . . . 0.0 109.301 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.9 134.43 53.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.566 -0.709 . . . . 0.0 109.23 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -156.25 133.97 11.03 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.164 -0.96 . . . . 0.0 109.513 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.82 -91.2 0.26 Allowed Glycine 0 CA--C 1.529 0.929 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -149.62 -2.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.237 -1.155 . . . . 0.0 109.373 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -131.37 146.14 52.15 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.221 -0.924 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.5 m -74.46 144.09 44.38 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.236 -0.915 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.403 ' CG2' ' CE ' ' A' ' 35' ' ' LYS . 34.0 m -121.77 177.7 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 121.12 -0.987 . . . . 0.0 109.741 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -82.13 131.65 35.24 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.241 -0.912 . . . . 0.0 109.695 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 10.0 t30 -105.89 134.11 19.89 Favored Pre-proline 0 CA--C 1.534 0.336 0 O-C-N 121.333 -0.854 . . . . 0.0 109.417 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 19.6 Cg_endo -91.17 -15.29 1.58 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 124.783 3.656 . . . . 0.0 109.943 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -151.69 92.69 3.61 Favored Pre-proline 0 CA--C 1.534 0.343 0 O-C-N 121.439 -0.788 . . . . 0.0 109.215 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -89.65 143.59 4.39 Favored 'Trans proline' 0 N--CA 1.479 0.674 0 C-N-CA 125.251 3.967 . . . . 0.0 110.589 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.5 t -129.09 -163.56 1.3 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.272 -0.892 . . . . 0.0 109.354 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' A' ' 51' ' ' GLU . 2.6 m -111.91 -27.99 8.22 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.195 -0.94 . . . . 0.0 108.748 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -69.89 1.43 4.46 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.46 -0.775 . . . . 0.0 108.956 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.6 pt-20 -99.77 51.15 0.92 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 42.07 73.14 0.14 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.248 0.547 . . . . 0.0 110.365 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.49 ' ND2' ' HZ3' ' A' ' 29' ' ' LYS . 6.6 t-20 60.07 85.85 0.1 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.714 0.769 . . . . 0.0 109.192 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.13 44.25 2.18 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 107.993 -2.043 . . . . 0.0 107.993 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.42 -17.73 5.55 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 107.927 -2.069 . . . . 0.0 107.927 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 57' ' ' ASP . 55.1 m -111.8 110.29 20.56 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 121.43 -1.041 . . . . 0.0 109.093 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 56' ' ' CYS . 39.4 t0 -28.19 139.1 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.364 0.602 . . . . 0.0 111.924 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.3 -32.73 62.66 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.423 -0.798 . . . . 0.0 108.96 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -84.63 -11.45 55.93 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.376 -0.827 . . . . 0.0 109.081 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.3 157.57 15.84 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.221 -0.924 . . . . 0.0 109.64 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -84.87 168.81 14.73 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.269 -0.895 . . . . 0.0 109.435 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.1 t -134.34 152.72 51.97 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.313 -0.867 . . . . 0.0 109.475 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -142.88 142.25 31.72 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.227 -0.921 . . . . 0.0 109.27 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.02 2.67 3.38 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.249 -0.907 . . . . 0.0 109.326 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.33 -0.257 0 O-C-N 121.416 -0.802 . . . . 0.0 109.445 179.932 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.464 ' HD3' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -79.18 105.9 10.83 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.293 -0.879 . . . . 0.0 109.219 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 mm -142.49 150.67 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 121.225 -0.922 . . . . 0.0 109.456 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.77 148.32 31.82 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.236 -0.915 . . . . 0.0 109.366 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -125.54 141.66 51.92 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.236 -0.915 . . . . 0.0 109.451 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.49 115.88 9.5 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.203 -0.936 . . . . 0.0 109.451 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 102.62 15.29 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.244 -0.91 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 p -66.11 -11.81 51.43 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.325 -0.859 . . . . 0.0 109.631 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 167.44 4.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 121.118 -0.989 . . . . 0.0 109.302 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.457 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 14.4 Cg_endo -88.4 -43.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.603 0 C-N-CA 125.228 3.952 . . . . 0.0 110.165 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.457 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -82.16 21.85 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.324 -0.86 . . . . 0.0 109.204 179.693 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.8 p -53.11 104.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.576 -0.702 . . . . 0.0 109.387 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.401 ' H ' ' H ' ' A' ' 93' ' ' SER . 5.3 m-85 -139.34 69.68 39.91 Favored Pre-proline 0 C--N 1.328 -0.358 0 O-C-N 121.408 -0.807 . . . . 0.0 109.211 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -31.37 141.59 0.04 OUTLIER 'Trans proline' 0 N--CA 1.481 0.752 1 C-N-CA 126.171 4.58 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.8 mt -103.3 -6.92 21.53 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.335 -0.853 . . . . 0.0 109.344 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.404 ' CD1' HD23 ' A' ' 31' ' ' LEU . 83.5 m-85 -152.01 -16.49 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.191 -0.943 . . . . 0.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 167.46 -42.35 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.98 9.31 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.449 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 2.3 pt -80.48 -12.29 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 O-C-N 121.193 -1.18 . . . . 0.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.449 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 52.8 m-85 -144.37 69.97 1.28 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.366 -0.834 . . . . 0.0 109.506 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 38.8 m -70.01 125.01 25.52 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.208 -0.932 . . . . 0.0 109.463 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.401 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 O-C-N 121.226 -0.921 . . . . 0.0 109.428 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.2 m80 . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.86 13.74 25.71 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.304 -0.872 . . . . 0.0 109.358 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 m 62.4 -167.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.236 -0.915 . . . . 0.0 109.424 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.0 t -102.39 -61.18 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 121.31 -0.869 . . . . 0.0 109.493 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.52 25.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.273 -0.892 . . . . 0.0 109.473 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -59.86 150.88 27.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.181 -0.949 . . . . 0.0 109.427 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -127.55 93.86 3.82 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.256 -0.903 . . . . 0.0 109.469 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 175.11 4.6 Favored Pre-proline 0 C--N 1.33 -0.259 0 O-C-N 121.317 -0.864 . . . . 0.0 109.345 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -89.44 167.73 5.14 Favored 'Trans proline' 0 N--CA 1.478 0.596 1 C-N-CA 125.541 4.161 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.6 176.43 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.262 -0.899 . . . . 0.0 109.462 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.411 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 8.8 m-20 55.36 21.21 4.04 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 121.201 -0.937 . . . . 0.0 109.313 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 t -159.65 155.19 25.71 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.236 -0.915 . . . . 0.0 109.79 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.05 162.67 25.64 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.5 149.08 24.62 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.187 -1.184 . . . . 0.0 109.719 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 48.2 t80 -153.12 138.28 17.38 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.315 -0.866 . . . . 0.0 109.25 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -78.99 115.32 18.6 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.239 -0.913 . . . . 0.0 109.526 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 139.33 40.66 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.29 -0.881 . . . . 0.0 109.377 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 2.7 mm? -62.44 -11.11 13.97 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.287 -0.883 . . . . 0.0 109.261 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.71 34.73 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.344 -0.848 . . . . 0.0 109.487 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 59.34 33.64 22.54 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.22 -0.925 . . . . 0.0 109.518 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -123.16 -179.39 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.18 -0.95 . . . . 0.0 109.418 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -139.37 130.82 27.02 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.323 -0.861 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.09 164.37 37.4 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.185 -0.947 . . . . 0.0 109.54 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.7 m -106.61 114.48 28.62 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.278 -0.889 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -101.86 137.71 39.8 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.259 -0.901 . . . . 0.0 109.246 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -55.52 167.12 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.156 -0.965 . . . . 0.0 109.4 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.1 mt -79.8 -168.5 1.62 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.164 -0.96 . . . . 0.0 109.651 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.98 155.48 40.52 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.314 -0.867 . . . . 0.0 109.548 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.4 m120 58.32 16.78 4.25 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.353 -0.842 . . . . 0.0 109.378 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 10.0 m-85 -128.37 116.58 19.99 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.408 -0.807 . . . . 0.0 109.237 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.11 -176.97 3.31 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.162 -0.961 . . . . 0.0 109.025 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -109.98 136.65 48.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.444 -0.785 . . . . 0.0 109.302 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -169.94 147.61 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.25 -0.906 . . . . 0.0 109.587 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.0 -122.56 30.07 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -119.45 15.57 12.94 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.224 -1.163 . . . . 0.0 109.618 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -159.82 156.74 27.99 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.173 -0.954 . . . . 0.0 109.388 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.4 m -73.52 134.67 43.89 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.111 -0.993 . . . . 0.0 109.508 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 m -105.87 -179.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 121.247 -0.908 . . . . 0.0 109.647 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.46 144.42 39.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.439 -0.788 . . . . 0.0 109.754 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -127.5 75.81 77.24 Favored Pre-proline 0 CA--C 1.532 0.275 0 O-C-N 121.468 -0.77 . . . . 0.0 109.269 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -31.54 -36.25 0.05 OUTLIER 'Trans proline' 0 N--CA 1.483 0.856 1 C-N-CA 125.96 4.44 . . . . 0.0 111.289 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.02 91.45 8.03 Favored Pre-proline 0 CA--C 1.533 0.326 0 O-C-N 121.11 -0.994 . . . . 0.0 109.619 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -51.9 175.5 0.07 OUTLIER 'Trans proline' 0 N--CA 1.485 1.014 0 C-N-CA 124.041 3.161 . . . . 0.0 109.642 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.405 ' CG2' ' CG ' ' A' ' 51' ' ' GLU . 6.6 t -130.3 -166.06 1.63 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.036 -1.04 . . . . 0.0 109.732 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.9 m -148.8 -37.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -65.86 -5.66 9.78 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.546 -0.721 . . . . 0.0 109.079 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 34.5 mm-40 -92.89 49.85 1.49 Allowed 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.147 -0.971 . . . . 0.0 108.61 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 6.4 p30 40.98 69.79 0.31 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.064 0.459 . . . . 0.0 110.413 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.8 OUTLIER 70.81 83.06 0.15 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.623 0.725 . . . . 0.0 109.354 -179.664 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.8 -23.82 31.3 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 108.604 -1.798 . . . . 0.0 108.604 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 162.75 11.71 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 107.481 -2.248 . . . . 0.0 107.481 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.53 ' O ' ' O ' ' A' ' 57' ' ' ASP . 61.1 m -95.68 69.76 2.97 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 118.958 -1.097 . . . . 0.0 110.43 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.53 ' O ' ' O ' ' A' ' 56' ' ' CYS . 6.1 t0 39.28 120.71 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 122.292 1.044 . . . . 0.0 112.903 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.43 -17.53 1.25 Allowed 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.74 -1.225 . . . . 0.0 109.968 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -17.18 15.38 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.164 -0.96 . . . . 0.0 109.526 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.493 ' H ' ' HB3' ' A' ' 57' ' ' ASP . . . -87.53 170.41 11.35 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 121.084 -1.01 . . . . 0.0 109.651 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.43 ' HZ1' ' H ' ' A' ' 62' ' ' CYS . 0.0 OUTLIER -95.55 176.48 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.325 -0.859 . . . . 0.0 109.327 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.43 ' H ' ' HZ1' ' A' ' 61' ' ' LYS . 3.3 t -134.08 136.0 43.64 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.304 -0.873 . . . . 0.0 109.391 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.63 140.11 52.3 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.181 -0.95 . . . . 0.0 109.471 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.04 18.27 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.289 -0.882 . . . . 0.0 109.768 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 CA--C 1.531 0.219 0 O-C-N 121.34 -0.85 . . . . 0.0 109.718 -179.935 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -113.92 123.69 50.37 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.187 -0.946 . . . . 0.0 109.671 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.8 mm -112.33 153.13 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 121.301 -0.874 . . . . 0.0 109.175 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.415 HG21 ' H ' ' A' ' 76' ' ' CYS . 4.5 m -157.56 156.75 32.49 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.144 -0.972 . . . . 0.0 109.725 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.415 ' H ' HG21 ' A' ' 75' ' ' THR . 22.2 m -112.24 135.18 53.24 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.355 -0.841 . . . . 0.0 109.142 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -128.06 92.12 3.4 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.154 -0.966 . . . . 0.0 109.577 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.8 m -57.37 131.83 51.25 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.249 -0.907 . . . . 0.0 109.872 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 t -84.89 21.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.352 -0.842 . . . . 0.0 108.846 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.09 169.24 14.3 Favored Pre-proline 0 C--N 1.331 -0.219 0 O-C-N 121.418 -0.802 . . . . 0.0 109.161 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -83.56 126.78 4.19 Favored 'Trans proline' 0 N--CA 1.479 0.621 0 C-N-CA 124.79 3.66 . . . . 0.0 109.228 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.9 t70 72.63 -52.64 0.7 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.38 139.97 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.571 -0.706 . . . . 0.0 109.835 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.01 68.16 10.39 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 121.105 -0.997 . . . . 0.0 109.277 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -33.6 125.83 0.15 Allowed 'Trans proline' 0 N--CA 1.481 0.763 1 C-N-CA 126.055 4.504 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.08 -30.38 60.92 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CD2' HD13 ' A' ' 90' ' ' ILE . 61.9 m-85 -128.55 -105.19 0.31 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -115.22 23.73 12.23 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.351 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.37 -19.57 8.58 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 119.567 -1.301 . . . . 0.0 110.55 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.412 HD13 ' CD2' ' A' ' 87' ' ' PHE . 4.3 pt -54.96 -32.48 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 O-C-N 121.092 -1.24 . . . . 0.0 109.235 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 17.3 m-85 -128.59 -176.32 3.8 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.328 -0.858 . . . . 0.0 108.917 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -166.6 44.95 0.06 Allowed 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.416 -0.802 . . . . 0.0 109.16 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.33 -0.24 0 O-C-N 121.105 -0.997 . . . . 0.0 109.57 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.089 0.471 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -68.89 -20.08 64.24 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 120.984 -1.073 . . . . 0.0 109.56 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.0 m 58.09 179.02 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.233 -0.917 . . . . 0.0 109.434 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 m -106.23 17.45 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 121.259 -0.901 . . . . 0.0 109.186 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt 64.0 76.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.377 -0.827 . . . . 0.0 109.444 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.461 ' HZ3' ' HB3' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -102.04 -11.16 19.1 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.08 -1.013 . . . . 0.0 109.049 179.705 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 66.5 83.24 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.45 -0.781 . . . . 0.0 109.833 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -85.97 174.99 4.88 Favored Pre-proline 0 CA--C 1.531 0.237 0 O-C-N 121.113 -0.992 . . . . 0.0 109.045 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -88.2 161.09 7.06 Favored 'Trans proline' 0 N--CA 1.478 0.575 1 C-N-CA 125.39 4.06 . . . . 0.0 110.507 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -55.33 176.99 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.236 -0.915 . . . . 0.0 109.614 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 55.24 23.15 5.25 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.191 -0.943 . . . . 0.0 109.036 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -161.18 159.12 28.49 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.316 -0.865 . . . . 0.0 109.617 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.67 158.5 27.06 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.73 155.07 26.91 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.24 -1.153 . . . . 0.0 109.592 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 31.2 t80 -162.65 134.93 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.336 -0.852 . . . . 0.0 109.45 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -78.37 112.44 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.347 -0.845 . . . . 0.0 109.232 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.48 136.68 37.68 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.435 -0.79 . . . . 0.0 109.653 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 4.5 mm? -60.14 -14.27 16.28 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.335 -0.853 . . . . 0.0 109.287 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.41 29.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.271 -0.893 . . . . 0.0 109.461 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 64.54 33.03 11.22 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.374 -0.828 . . . . 0.0 109.679 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.21 -178.18 3.8 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.244 -0.91 . . . . 0.0 109.43 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.461 ' HB3' ' HZ3' ' A' ' 10' ' ' LYS . 34.5 mt-10 -143.38 135.69 27.08 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.291 -0.88 . . . . 0.0 109.452 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.6 162.43 21.57 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.164 -0.96 . . . . 0.0 109.621 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 85.0 m -105.36 112.57 25.73 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.283 -0.885 . . . . 0.0 109.315 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.73 141.49 29.89 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.249 -0.907 . . . . 0.0 108.818 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.6 m -52.98 165.34 0.31 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.225 -0.922 . . . . 0.0 109.927 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.423 HD23 ' CE1' ' A' ' 87' ' ' PHE . 48.5 mt -76.47 -165.67 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.213 -0.929 . . . . 0.0 110.232 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.46 153.8 42.56 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 121.455 -0.778 . . . . 0.0 109.868 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 m120 54.09 20.34 2.46 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.305 -0.872 . . . . 0.0 109.697 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -125.1 116.65 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.167 -0.958 . . . . 0.0 109.234 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.59 -171.72 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.132 -0.98 . . . . 0.0 109.306 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.39 143.2 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.585 -0.697 . . . . 0.0 109.414 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -157.37 121.27 4.2 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.175 -0.953 . . . . 0.0 109.39 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.21 -103.59 0.56 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.42 2.99 5.09 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.252 -1.146 . . . . 0.0 109.489 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 142.86 47.99 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.178 -0.951 . . . . 0.0 109.365 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.9 m -71.85 142.02 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.243 -0.911 . . . . 0.0 109.23 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -114.44 179.96 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 O-C-N 121.2 -0.937 . . . . 0.0 109.555 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.63 135.64 38.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.223 -0.923 . . . . 0.0 109.569 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.418 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.8 t-20 -116.41 124.85 29.04 Favored Pre-proline 0 CA--C 1.537 0.464 0 O-C-N 121.238 -0.914 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 18.1 Cg_endo -92.2 -16.28 1.09 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 124.773 3.649 . . . . 0.0 110.345 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.544 HD22 ' HZ1' ' A' ' 72' ' ' LYS . 2.3 t-20 -129.28 97.61 25.23 Favored Pre-proline 0 CA--C 1.534 0.36 0 O-C-N 121.289 -0.882 . . . . 0.0 109.755 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -89.84 176.59 2.78 Favored 'Trans proline' 0 N--CA 1.478 0.572 0 C-N-CA 125.254 3.969 . . . . 0.0 109.813 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' A' ' 51' ' ' GLU . 10.3 t -153.07 -152.41 0.42 Allowed 'General case' 0 CA--C 1.533 0.307 0 O-C-N 120.93 -1.106 . . . . 0.0 110.311 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.404 ' N ' ' CG2' ' A' ' 48' ' ' THR . 85.3 m -150.0 -43.9 0.13 Allowed 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -67.61 2.55 1.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.558 -0.714 . . . . 0.0 110.022 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HB2' ' CG2' ' A' ' 48' ' ' THR . 44.5 mt-10 -103.31 58.5 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 120.981 -1.075 . . . . 0.0 108.724 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 p30 41.06 72.51 0.16 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.163 0.506 . . . . 0.0 110.757 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 11.1 t-20 59.75 84.87 0.11 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.665 0.745 . . . . 0.0 109.314 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.13 -35.75 89.24 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 107.676 -2.169 . . . . 0.0 107.676 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -159.18 -4.45 0.06 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 107.379 -2.288 . . . . 0.0 107.379 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ASP . 96.5 m -111.62 119.24 38.02 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.635 -0.921 . . . . 0.0 109.419 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' CYS . 24.4 t0 -27.43 138.89 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.433 0.635 . . . . 0.0 111.934 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.61 -32.7 59.22 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 121.352 -0.842 . . . . 0.0 109.094 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.68 -11.46 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.322 -0.861 . . . . 0.0 109.041 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.76 149.26 25.4 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.284 -0.885 . . . . 0.0 109.376 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -78.88 105.22 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.238 -0.913 . . . . 0.0 109.205 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.1 t -83.91 125.39 31.96 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.359 -0.838 . . . . 0.0 109.424 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.08 141.29 52.12 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.222 -0.924 . . . . 0.0 109.536 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -151.88 -2.79 0.29 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.237 -0.914 . . . . 0.0 109.699 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 . . . . . 0 CA--C 1.53 0.208 0 O-C-N 121.159 -0.963 . . . . 0.0 109.509 -179.882 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.544 ' HZ1' HD22 ' A' ' 46' ' ' ASN . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.198 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -105.89 125.29 50.81 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.255 -0.903 . . . . 0.0 109.466 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.2 mm -113.66 148.1 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 O-C-N 121.281 -0.887 . . . . 0.0 109.203 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.73 150.33 36.05 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.139 -0.976 . . . . 0.0 109.651 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 m -120.34 132.22 55.19 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.368 -0.832 . . . . 0.0 109.117 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -134.56 94.32 3.18 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.153 -0.967 . . . . 0.0 109.733 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' A' ' 80' ' ' LYS . 2.6 m -61.15 119.55 8.6 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.208 -0.933 . . . . 0.0 109.408 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 t -76.52 13.32 1.0 Allowed 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.314 -0.866 . . . . 0.0 109.65 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 78' ' ' CYS . 9.9 mmtt -83.0 168.47 22.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 O-C-N 121.227 -0.921 . . . . 0.0 109.166 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -82.8 128.05 5.06 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 124.86 3.707 . . . . 0.0 109.289 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 72.28 -52.1 0.7 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.403 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.3 OUTLIER 61.58 155.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.475 -0.766 . . . . 0.0 110.315 179.116 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.571 ' H ' ' H ' ' A' ' 93' ' ' SER . 56.0 m-85 -152.31 105.27 2.77 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -86.11 123.92 2.41 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 124.84 3.693 . . . . 0.0 110.246 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 mt -82.85 -23.08 33.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CD2' ' CD1' ' A' ' 90' ' ' ILE . 74.1 m-85 -128.19 -112.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.48 28.92 8.39 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.569 -0.707 . . . . 0.0 109.9 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.86 -9.83 27.56 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 119.608 -1.282 . . . . 0.0 110.375 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.442 ' CD1' ' CD2' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -55.5 -30.22 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 O-C-N 121.062 -1.258 . . . . 0.0 108.762 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.488 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 23.4 m-85 -132.4 161.54 33.37 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.368 -0.833 . . . . 0.0 108.886 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 33.5 m -135.84 162.0 34.04 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.141 -0.974 . . . . 0.0 109.282 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.571 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER . . . . . 0 CA--C 1.531 0.228 0 O-C-N 121.442 -0.786 . . . . 0.0 109.463 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 2.2 m170 . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -108.92 -0.43 19.7 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.36 -0.838 . . . . 0.0 109.235 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 m 63.23 172.35 0.16 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.306 -0.871 . . . . 0.0 109.493 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.95 127.69 68.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 121.304 -0.873 . . . . 0.0 109.369 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 58.37 38.66 25.83 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.282 -0.886 . . . . 0.0 109.397 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' CG ' ' H ' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -95.68 -161.61 0.88 Allowed 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.273 -0.892 . . . . 0.0 109.462 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.48 ' H ' ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -143.31 19.88 1.9 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.318 -0.864 . . . . 0.0 109.348 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 t -54.55 114.18 6.38 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 121.304 -0.873 . . . . 0.0 109.183 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -84.41 -174.71 1.9 Allowed 'Trans proline' 0 N--CA 1.483 0.889 0 C-N-CA 124.786 3.657 . . . . 0.0 110.951 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -68.13 176.62 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.521 -0.737 . . . . 0.0 109.386 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m120 55.18 22.99 5.01 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.214 -0.929 . . . . 0.0 108.868 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 p -163.45 127.14 2.77 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.5 -0.75 . . . . 0.0 109.219 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.84 149.86 19.31 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -81.54 168.86 17.78 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.187 -1.184 . . . . 0.0 109.365 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CE2' ' HA ' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -158.2 153.93 26.49 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.461 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 6.5 ttp180 179.19 -144.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 5' ' ' HIS . 19.7 m-70 59.86 4.71 0.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.466 -0.771 . . . . 0.0 110.89 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 mt -120.38 7.11 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 120.92 -1.113 . . . . 0.0 108.371 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.9 p-10 -179.37 9.72 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 67.82 9.13 6.9 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.959 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -177.55 52.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.072 -1.017 . . . . 0.0 109.935 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.461 ' H ' ' HG3' ' A' ' 20' ' ' ARG . 69.5 mm-40 -55.54 -90.06 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.406 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 170.78 -178.11 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.676 -0.64 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 t -107.94 108.24 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.319 -0.863 . . . . 0.0 108.877 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.479 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -87.48 161.25 17.92 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.232 -0.917 . . . . 0.0 109.237 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.479 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 39.7 m -77.71 164.85 24.9 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 120.977 -1.077 . . . . 0.0 109.274 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.42 HD23 ' CD1' ' A' ' 87' ' ' PHE . 4.8 mt -72.21 -170.77 0.66 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.181 -0.949 . . . . 0.0 109.759 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.29 152.85 40.81 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.273 -0.892 . . . . 0.0 109.208 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 58.76 16.66 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.182 -0.949 . . . . 0.0 109.315 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -123.01 113.56 19.22 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.404 -0.81 . . . . 0.0 109.205 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.411 ' H ' ' HG2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -98.63 -179.98 4.49 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.171 -0.955 . . . . 0.0 109.159 179.809 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -98.13 141.11 31.47 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.305 -0.872 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.36 126.03 1.91 Allowed 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.16 -0.962 . . . . 0.0 109.437 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.26 8.87 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -123.57 13.75 9.42 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.25 -1.147 . . . . 0.0 109.405 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.1 147.75 30.91 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.248 -0.907 . . . . 0.0 109.107 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.1 m -75.3 127.44 33.17 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.104 -0.997 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 m -99.28 -179.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 O-C-N 121.101 -0.999 . . . . 0.0 109.786 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.23 140.13 40.03 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.572 -0.705 . . . . 0.0 109.651 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -129.87 68.12 80.31 Favored Pre-proline 0 C--N 1.331 -0.204 0 O-C-N 121.327 -0.858 . . . . 0.0 109.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -33.41 -34.32 0.06 OUTLIER 'Trans proline' 0 N--CA 1.482 0.802 1 C-N-CA 126.019 4.479 . . . . 0.0 110.856 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -123.45 89.35 51.19 Favored Pre-proline 0 CA--C 1.532 0.284 0 O-C-N 121.144 -0.973 . . . . 0.0 109.746 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -90.13 173.5 3.37 Favored 'Trans proline' 0 N--CA 1.478 0.609 1 C-N-CA 125.455 4.103 . . . . 0.0 110.073 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 t -153.32 -175.67 5.45 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.099 -1.0 . . . . 0.0 109.827 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.8 m -108.0 -29.9 8.75 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -56.87 -18.27 12.51 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.401 -0.812 . . . . 0.0 108.914 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.19 65.9 1.21 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 41.82 54.28 3.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.204 0.526 . . . . 0.0 111.205 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.464 HD21 ' HA ' ' A' ' 58' ' ' ALA . 7.0 t30 61.59 66.66 0.83 Allowed 'General case' 0 N--CA 1.462 0.146 0 O-C-N 120.984 -1.073 . . . . 0.0 108.916 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.13 -50.47 5.12 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.48 -20.52 76.73 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.402 ' HB3' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -112.28 145.66 39.59 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.069 -1.253 . . . . 0.0 110.462 -179.753 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.435 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -52.77 -91.19 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 O-C-N 121.443 -0.786 . . . . 0.0 109.839 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HA ' HD21 ' A' ' 53' ' ' ASN . . . -151.04 -25.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.339 -0.851 . . . . 0.0 109.427 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.63 -13.85 13.24 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.227 -0.921 . . . . 0.0 109.563 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 171.56 9.07 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.163 -0.961 . . . . 0.0 109.536 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.4 121.1 41.32 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.303 -0.873 . . . . 0.0 109.431 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.98 147.97 23.45 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.247 -0.908 . . . . 0.0 109.432 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.84 152.21 26.57 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.186 -0.946 . . . . 0.0 109.662 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.61 0.47 5.52 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.252 -0.905 . . . . 0.0 109.519 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 C--N 1.33 -0.249 0 O-C-N 121.263 -0.898 . . . . 0.0 109.461 -179.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.37 105.33 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.25 -0.906 . . . . 0.0 109.299 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -143.86 133.56 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 O-C-N 121.286 -0.884 . . . . 0.0 109.423 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 160.29 38.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.227 -0.921 . . . . 0.0 109.536 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.2 m -152.22 147.35 26.29 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.311 -0.868 . . . . 0.0 109.666 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -147.29 104.15 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.262 -0.899 . . . . 0.0 109.38 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.0 m -69.36 131.6 45.08 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.296 -0.877 . . . . 0.0 109.429 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 t -93.13 28.39 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.229 -0.919 . . . . 0.0 109.375 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -84.16 151.55 60.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 121.244 -0.91 . . . . 0.0 109.178 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -38.61 -93.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.482 0.846 0 C-N-CA 125.112 3.875 . . . . 0.0 109.994 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -83.92 -8.39 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 120.724 -1.235 . . . . 0.0 107.791 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.6 OUTLIER 61.52 151.94 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 109.946 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 83' ' ' SER . 61.7 m-85 -155.04 88.18 3.22 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 120.994 -1.066 . . . . 0.0 108.862 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -90.12 133.0 1.94 Allowed 'Trans proline' 0 N--CA 1.476 0.454 1 C-N-CA 125.707 4.272 . . . . 0.0 110.7 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 98.7 mt -79.7 -9.08 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.42 ' CD1' HD23 ' A' ' 31' ' ' LEU . 86.4 m-85 -149.84 -113.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -105.18 21.88 16.35 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.446 -0.784 . . . . 0.0 109.957 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.51 48.12 0.76 Allowed Glycine 0 CA--C 1.53 0.979 0 C-N-CA 119.538 -1.315 . . . . 0.0 110.402 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -127.57 7.48 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 121.118 -1.225 . . . . 0.0 109.186 179.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.429 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 96.8 m-85 -148.13 22.18 1.08 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.232 -0.917 . . . . 0.0 109.437 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.6 134.42 41.28 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.331 -0.855 . . . . 0.0 109.599 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 O-C-N 121.176 -0.953 . . . . 0.0 109.574 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -103.22 148.49 25.74 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.224 -0.923 . . . . 0.0 109.458 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.9 m -89.97 178.53 6.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.244 -0.91 . . . . 0.0 109.434 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 m -105.03 -110.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 O-C-N 121.179 -0.951 . . . . 0.0 109.366 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -96.5 14.44 24.62 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.22 -0.925 . . . . 0.0 109.316 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.495 ' CG ' ' H ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -59.98 -179.46 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.241 -0.912 . . . . 0.0 109.409 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.495 ' H ' ' CG ' ' A' ' 10' ' ' LYS . 1.6 pt20 -141.92 135.93 29.92 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.21 -0.931 . . . . 0.0 109.661 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -127.32 138.37 32.63 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -81.12 -174.61 2.29 Favored 'Trans proline' 0 N--CA 1.483 0.872 0 C-N-CA 124.21 3.273 . . . . 0.0 110.926 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.29 172.26 12.76 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 56.01 21.76 5.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.094 -1.004 . . . . 0.0 108.769 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 p -157.27 137.41 12.67 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.45 -0.781 . . . . 0.0 109.263 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.36 165.47 12.14 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.98 160.91 16.13 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.155 -1.203 . . . . 0.0 109.744 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -170.01 140.06 1.95 Allowed 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.283 -0.886 . . . . 0.0 109.338 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -92.02 116.25 28.76 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.187 -0.946 . . . . 0.0 109.294 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.415 ' CG ' ' HG2' ' A' ' 25' ' ' ARG . 7.9 m170 -54.25 140.71 32.01 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.33 -0.856 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.401 ' CD1' ' N ' ' A' ' 22' ' ' LEU . 6.7 mp -67.54 -2.22 6.24 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.298 -0.876 . . . . 0.0 109.367 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.47 33.39 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.281 -0.887 . . . . 0.0 109.228 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.18 61.97 2.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.285 -0.884 . . . . 0.0 109.498 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG2' ' CG ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -150.94 124.97 9.26 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.219 -0.926 . . . . 0.0 109.132 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -87.92 118.69 27.64 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.124 -0.985 . . . . 0.0 109.798 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.84 165.41 31.59 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.275 -0.891 . . . . 0.0 109.369 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.49 125.53 44.38 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.279 -0.888 . . . . 0.0 108.86 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HZ1' ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -96.89 -179.22 4.49 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.446 -0.784 . . . . 0.0 109.706 -179.095 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.4 m -83.35 166.48 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.289 -0.882 . . . . 0.0 109.926 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.424 ' CD2' ' CD2' ' A' ' 87' ' ' PHE . 16.4 mt -76.49 -167.21 0.76 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.364 -0.835 . . . . 0.0 109.807 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.43 151.98 40.94 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.296 -0.878 . . . . 0.0 109.386 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 58.22 17.4 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.29 -0.882 . . . . 0.0 109.319 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -124.88 116.96 23.05 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.419 -0.801 . . . . 0.0 109.087 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.465 ' HZ1' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -96.46 -176.59 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 179.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -122.49 138.71 54.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.506 -0.746 . . . . 0.0 109.299 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HB2' ' HZ2' ' A' ' 35' ' ' LYS . 51.3 tt0 -155.08 87.91 1.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.107 -0.996 . . . . 0.0 109.699 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.01 -104.27 2.43 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.89 2.78 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.238 -1.154 . . . . 0.0 109.575 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -137.19 145.85 44.19 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.207 -0.933 . . . . 0.0 109.424 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.4 m -86.47 139.92 30.43 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.227 -0.92 . . . . 0.0 109.543 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.47 -179.43 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 O-C-N 121.279 -0.888 . . . . 0.0 109.484 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.35 142.28 48.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.265 -0.897 . . . . 0.0 109.398 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -120.84 128.87 25.56 Favored Pre-proline 0 CA--C 1.537 0.453 0 O-C-N 121.179 -0.95 . . . . 0.0 109.447 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -92.17 -16.64 1.04 Allowed 'Trans proline' 0 N--CA 1.478 0.608 0 C-N-CA 124.76 3.64 . . . . 0.0 110.029 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -145.39 97.99 4.66 Favored Pre-proline 0 CA--C 1.534 0.327 0 O-C-N 121.347 -0.845 . . . . 0.0 109.153 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -88.09 123.19 1.64 Allowed 'Trans proline' 0 N--CA 1.478 0.599 0 C-N-CA 125.064 3.843 . . . . 0.0 110.646 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.491 HG21 ' H ' ' A' ' 49' ' ' CYS . 54.9 m -89.87 163.25 15.08 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 121.399 -0.813 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.491 ' H ' HG21 ' A' ' 48' ' ' THR . 98.5 m -112.78 -38.45 4.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.197 -0.939 . . . . 0.0 108.574 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.38 -8.07 5.43 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -81.88 -164.09 0.75 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -79.64 64.93 4.65 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.049 -1.032 . . . . 0.0 108.85 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.445 ' ND2' ' HZ1' ' A' ' 29' ' ' LYS . 3.7 t-20 60.2 83.48 0.14 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.19 -35.81 55.7 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 108.291 -1.924 . . . . 0.0 108.291 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.89 -1.09 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 107.562 -2.215 . . . . 0.0 107.562 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 57' ' ' ASP . 75.2 m -112.29 122.59 48.16 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.583 -0.951 . . . . 0.0 109.051 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 56' ' ' CYS . 0.0 OUTLIER -25.83 127.25 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.351 0.595 . . . . 0.0 111.855 -179.005 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.43 -25.41 15.88 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.577 -0.702 . . . . 0.0 109.747 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.6 -3.67 35.71 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 121.208 -0.932 . . . . 0.0 109.685 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.08 167.13 13.39 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.087 -1.008 . . . . 0.0 109.716 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -88.83 120.13 29.95 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.289 -0.882 . . . . 0.0 108.813 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.04 148.34 22.26 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.226 -0.921 . . . . 0.0 109.931 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.08 140.27 30.83 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.243 -0.911 . . . . 0.0 109.272 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.51 0.91 3.36 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.371 -0.831 . . . . 0.0 109.542 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.331 -0.238 0 O-C-N 121.233 -0.917 . . . . 0.0 109.451 179.872 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.66 106.34 18.27 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.196 -0.94 . . . . 0.0 109.501 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -145.58 107.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 O-C-N 121.245 -0.91 . . . . 0.0 109.339 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 t -113.8 168.97 9.34 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.108 -0.995 . . . . 0.0 109.882 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.2 m -127.85 156.99 41.67 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.524 -0.735 . . . . 0.0 109.302 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -159.47 91.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.266 -0.896 . . . . 0.0 109.413 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 72.1 m -54.14 135.21 43.99 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.229 -0.919 . . . . 0.0 109.264 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.8 t -90.59 -19.57 23.56 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.231 -0.918 . . . . 0.0 109.797 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -54.99 170.58 0.35 Allowed Pre-proline 0 CA--C 1.532 0.277 0 O-C-N 121.18 -0.95 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -88.52 -54.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.478 0.581 1 C-N-CA 125.409 4.073 . . . . 0.0 110.239 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.82 21.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.332 -0.855 . . . . 0.0 109.042 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.409 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -82.67 131.33 35.21 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.529 -0.732 . . . . 0.0 109.541 -179.71 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.442 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 20.5 m-85 -145.69 95.97 4.83 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 27.8 Cg_exo -29.8 106.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.484 0.927 1 C-N-CA 125.686 4.257 . . . . 0.0 111.594 -178.555 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.454 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -66.39 -63.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 179.073 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.424 ' CD2' ' CD2' ' A' ' 31' ' ' LEU . 14.0 m-85 -81.09 -116.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.99 29.88 7.38 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.85 22.78 7.8 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.413 ' CG1' ' N ' ' A' ' 91' ' ' PHE . 0.4 OUTLIER -96.93 -36.85 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.18 -1.188 . . . . 0.0 109.755 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.454 ' CE2' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -143.93 110.35 5.5 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.085 -1.009 . . . . 0.0 109.18 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.5 m -82.98 158.83 22.4 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 120.957 -1.089 . . . . 0.0 109.525 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 O-C-N 121.272 -0.893 . . . . 0.0 109.452 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.458 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 9.7 m-70 . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -79.6 14.55 1.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.242 -0.911 . . . . 0.0 109.409 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m 52.63 -153.11 0.24 Allowed 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.51 -0.744 . . . . 0.0 109.848 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 t -120.38 38.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.33 -0.856 . . . . 0.0 109.24 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.53 51.35 1.52 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.257 -0.902 . . . . 0.0 109.203 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.482 ' HZ2' ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -80.91 -121.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.161 -0.962 . . . . 0.0 109.725 -179.788 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -135.64 122.79 21.59 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.087 -1.008 . . . . 0.0 110.01 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 t -151.5 135.43 9.58 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -88.03 -171.53 0.67 Allowed 'Trans proline' 0 N--CA 1.482 0.834 0 C-N-CA 124.542 3.495 . . . . 0.0 111.309 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -76.25 175.65 8.84 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.416 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 4.1 m-20 55.62 21.13 4.3 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.197 -0.939 . . . . 0.0 108.941 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.91 146.9 26.59 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.457 -0.777 . . . . 0.0 109.164 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.28 169.24 12.85 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 t -92.16 145.65 24.34 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.219 -1.165 . . . . 0.0 110.031 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 2.7 t80 -155.51 118.21 4.25 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.379 -0.826 . . . . 0.0 108.803 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' A' ' 5' ' ' HIS . 16.4 ptp180 -83.52 14.84 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.182 -0.949 . . . . 0.0 109.721 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.51 151.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.641 0.734 . . . . 0.0 110.116 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.495 ' H ' ' CD1' ' A' ' 22' ' ' LEU . 2.1 mp -80.34 3.14 22.09 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.134 -0.979 . . . . 0.0 108.609 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.96 24.56 11.94 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.459 -0.775 . . . . 0.0 109.739 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.1 58.26 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.096 -1.003 . . . . 0.0 109.551 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.05 113.84 11.11 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.193 -0.942 . . . . 0.0 109.215 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.39 123.34 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.173 -0.954 . . . . 0.0 109.283 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.471 ' HA ' ' HZ1' ' A' ' 10' ' ' LYS . 2.4 mt-10 -154.9 159.21 40.3 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.12 -0.987 . . . . 0.0 109.912 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.482 ' N ' ' HZ2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -119.15 105.93 11.87 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 2.1 ttmm -82.44 177.68 8.62 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.411 -0.806 . . . . 0.0 110.066 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.509 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 21.7 m -94.93 167.68 11.26 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.228 -0.92 . . . . 0.0 109.147 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.27 -172.36 4.12 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.159 -0.963 . . . . 0.0 109.36 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.56 155.56 40.29 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.176 -0.952 . . . . 0.0 109.164 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 61.54 13.24 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.258 -0.901 . . . . 0.0 109.287 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.416 ' CE2' ' HB3' ' A' ' 15' ' ' ASN . 12.1 m-85 -128.28 116.27 19.59 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.392 -0.817 . . . . 0.0 109.243 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -99.11 -169.97 1.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.286 -0.884 . . . . 0.0 109.307 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.0 150.79 26.12 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.719 -0.613 . . . . 0.0 109.394 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.31 113.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.231 -0.918 . . . . 0.0 109.508 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.54 -94.98 0.24 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -140.1 2.63 1.93 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.249 -1.148 . . . . 0.0 109.428 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -131.9 139.46 48.77 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.9 m -69.69 135.91 50.42 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.191 -0.943 . . . . 0.0 109.296 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 m -109.13 179.31 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 121.313 -0.867 . . . . 0.0 109.536 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.37 120.62 25.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.278 -0.889 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.446 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.8 t-20 -76.14 128.88 81.95 Favored Pre-proline 0 CA--C 1.536 0.423 0 O-C-N 121.333 -0.854 . . . . 0.0 109.399 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.2 Cg_endo -90.53 -16.21 1.67 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.843 3.695 . . . . 0.0 110.121 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.467 HD22 ' HG3' ' A' ' 72' ' ' LYS . 11.4 t-20 -157.25 58.17 1.47 Allowed Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 121.349 -0.844 . . . . 0.0 109.511 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -38.37 125.9 0.92 Allowed 'Trans proline' 0 N--CA 1.483 0.871 1 C-N-CA 125.383 4.055 . . . . 0.0 110.367 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.6 t -126.41 -167.38 1.71 Allowed 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.133 -0.979 . . . . 0.0 109.317 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' C ' ' H ' ' A' ' 51' ' ' GLU . 1.8 m -109.94 -27.22 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.289 -0.882 . . . . 0.0 108.839 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -69.7 0.74 5.07 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.405 -0.809 . . . . 0.0 108.85 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.4 pt-20 -98.75 51.98 0.98 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.72 72.14 0.18 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.263 0.554 . . . . 0.0 110.491 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.419 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 4.6 t30 59.96 85.24 0.11 Allowed 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.393 -0.817 . . . . 0.0 109.131 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.26 43.8 2.66 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 107.905 -2.078 . . . . 0.0 107.905 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.12 -18.78 5.52 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 107.84 -2.104 . . . . 0.0 107.84 -178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASP . 33.3 m -111.22 112.04 23.54 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.524 -0.986 . . . . 0.0 109.149 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.419 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 18.0 t0 -30.11 141.39 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.383 0.611 . . . . 0.0 112.003 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.81 -28.75 51.65 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -91.68 -15.78 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.14 159.38 19.53 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 121.358 -0.839 . . . . 0.0 109.585 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -88.2 156.84 19.01 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.337 -0.852 . . . . 0.0 109.334 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.4 t -126.85 141.54 51.79 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.173 -0.954 . . . . 0.0 109.429 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.03 139.93 47.47 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.266 -0.896 . . . . 0.0 109.436 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -130.81 16.08 5.27 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.335 -0.853 . . . . 0.0 109.461 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.33 -0.255 0 O-C-N 121.462 -0.773 . . . . 0.0 109.56 -179.69 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HG3' HD22 ' A' ' 46' ' ' ASN . 54.9 mmtt . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -101.61 122.32 43.64 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.168 -0.957 . . . . 0.0 109.552 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -116.17 143.77 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 121.368 -0.833 . . . . 0.0 109.005 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.88 151.62 38.16 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.185 -0.947 . . . . 0.0 109.609 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.2 m -128.13 145.07 51.13 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.303 -0.873 . . . . 0.0 109.368 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.82 113.38 5.33 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.375 -0.828 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -81.39 126.32 31.48 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.234 -0.916 . . . . 0.0 109.28 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.75 -18.55 32.71 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.236 -0.915 . . . . 0.0 109.491 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -55.07 168.58 0.51 Allowed Pre-proline 0 C--N 1.329 -0.291 0 O-C-N 121.244 -0.91 . . . . 0.0 109.34 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.44 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 13.1 Cg_endo -88.03 -42.99 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 125.191 3.928 . . . . 0.0 110.157 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.44 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 32.1 m-20 -82.23 20.49 1.04 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.22 -0.925 . . . . 0.0 109.009 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 81' ' ' PRO . 55.9 p -53.77 101.46 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 121.526 -0.734 . . . . 0.0 109.532 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -133.44 68.28 76.66 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 121.329 -0.857 . . . . 0.0 109.073 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -30.68 116.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.481 0.771 1 C-N-CA 126.367 4.711 . . . . 0.0 111.158 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.1 mt -77.33 -8.44 57.66 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -144.71 -109.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.98 17.08 22.11 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 121.62 -0.675 . . . . 0.0 109.728 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.3 -8.22 15.86 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 119.663 -1.256 . . . . 0.0 110.287 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.449 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 2.9 pt -59.94 -22.69 24.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 O-C-N 120.91 -1.347 . . . . 0.0 109.495 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.449 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 33.1 m-85 -140.84 107.24 5.27 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.115 -0.991 . . . . 0.0 109.659 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.6 m -105.34 128.07 53.29 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.243 -0.91 . . . . 0.0 109.288 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 O-C-N 121.2 -0.938 . . . . 0.0 109.439 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -76.95 -161.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 171.1 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.284 -0.885 . . . . 0.0 109.264 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 t -103.55 93.7 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 121.176 -0.952 . . . . 0.0 109.56 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.36 77.89 0.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.37 -0.831 . . . . 0.0 109.403 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -149.33 -50.95 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.254 -0.904 . . . . 0.0 109.437 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.34 -176.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.191 -0.943 . . . . 0.0 109.173 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 178.98 162.68 0.71 Allowed Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 121.057 -1.027 . . . . 0.0 109.484 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -37.42 167.74 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 1 C-N-CA 126.331 4.688 . . . . 0.0 111.923 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -83.14 177.8 8.4 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.198 -0.938 . . . . 0.0 108.906 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.42 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 13.9 m120 56.11 22.4 5.95 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 121.06 -1.025 . . . . 0.0 108.577 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.4 p -153.94 131.1 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.87 166.47 16.68 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 t -78.57 164.43 24.68 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.436 -1.038 . . . . 0.0 109.539 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 6.1 t80 -170.29 105.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.263 -0.898 . . . . 0.0 109.069 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 38.1 ttp85 -105.9 77.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.17 -0.956 . . . . 0.0 109.339 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 88.3 m-70 -155.41 -178.75 7.49 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.418 -0.801 . . . . 0.0 109.911 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.4 mt 70.9 -46.07 0.63 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.068 0.461 . . . . 0.0 110.222 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -117.76 13.26 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.161 -0.962 . . . . 0.0 108.646 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 53.62 22.87 3.26 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.24 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -127.96 154.52 45.48 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.349 -0.845 . . . . 0.0 109.6 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.18 127.66 33.38 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.37 -0.831 . . . . 0.0 109.66 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -140.24 179.17 6.8 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.316 -0.865 . . . . 0.0 109.38 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.59 109.65 8.25 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.297 -0.877 . . . . 0.0 109.19 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 9.1 tttt -97.7 161.66 13.65 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.273 -0.892 . . . . 0.0 108.825 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.474 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -76.73 158.64 30.81 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 120.96 -1.088 . . . . 0.0 109.85 -179.664 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 mt -73.42 -164.89 0.22 Allowed 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.424 -0.798 . . . . 0.0 109.86 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.76 153.23 41.22 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.415 -0.803 . . . . 0.0 109.508 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 61.95 11.73 4.39 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.282 -0.886 . . . . 0.0 109.411 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 15' ' ' ASN . 11.9 m-85 -123.17 120.11 32.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.48 -0.763 . . . . 0.0 108.965 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -103.27 -174.27 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.13 -0.981 . . . . 0.0 109.589 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.81 146.68 28.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.482 -0.761 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -151.02 78.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.262 -0.899 . . . . 0.0 109.435 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.71 -102.23 2.55 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -122.98 7.91 9.28 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.207 -1.172 . . . . 0.0 109.328 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -139.56 129.57 25.0 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.209 -0.932 . . . . 0.0 109.461 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.2 m -72.74 145.64 46.98 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.259 -0.901 . . . . 0.0 109.245 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 m -120.79 179.93 2.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 O-C-N 121.135 -0.978 . . . . 0.0 109.556 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.55 121.14 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.287 -0.883 . . . . 0.0 109.46 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -86.82 122.08 71.58 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 121.338 -0.851 . . . . 0.0 109.326 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -90.58 -16.98 1.49 Allowed 'Trans proline' 0 N--CA 1.479 0.62 0 C-N-CA 124.713 3.609 . . . . 0.0 110.277 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.01 87.29 6.24 Favored Pre-proline 0 CA--C 1.532 0.276 0 O-C-N 121.239 -0.913 . . . . 0.0 109.408 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -90.98 151.15 3.89 Favored 'Trans proline' 0 N--CA 1.476 0.495 1 C-N-CA 125.504 4.136 . . . . 0.0 110.329 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 49' ' ' CYS . 9.5 t -144.77 -129.09 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.191 -0.943 . . . . 0.0 109.51 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.451 ' N ' ' CG2' ' A' ' 48' ' ' THR . 3.2 m -137.02 -36.6 0.67 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -68.27 -1.77 6.91 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.451 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 5.1 mm-40 -90.96 50.72 1.83 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.92 70.11 0.31 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.149 0.499 . . . . 0.0 110.152 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 5.2 t-20 60.75 81.26 0.19 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.91 45.69 3.51 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 121.83 -15.01 9.04 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 108.206 -1.958 . . . . 0.0 108.206 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ASP . 26.5 m -110.84 110.05 20.5 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.431 -1.041 . . . . 0.0 108.79 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' CYS . 17.2 t0 -27.73 138.08 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 121.361 0.6 . . . . 0.0 111.888 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.53 -30.2 40.5 Favored 'General case' 0 CA--C 1.528 0.126 0 O-C-N 121.477 -0.765 . . . . 0.0 109.042 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -90.23 -15.84 30.57 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.494 -0.754 . . . . 0.0 109.043 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.58 166.12 15.66 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.303 -0.873 . . . . 0.0 109.462 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -91.09 169.0 11.23 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.401 -0.812 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 51.3 t -136.69 144.52 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.288 -0.883 . . . . 0.0 109.381 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.61 140.11 48.07 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.192 -0.942 . . . . 0.0 109.308 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.13 -6.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.341 -0.85 . . . . 0.0 109.48 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 . . . . . 0 C--N 1.33 -0.281 0 O-C-N 121.284 -0.885 . . . . 0.0 109.319 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.472 ' H ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -129.35 107.31 9.42 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.344 -0.848 . . . . 0.0 109.456 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -144.91 148.59 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 121.277 -0.889 . . . . 0.0 109.536 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 m -137.17 163.61 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.297 -0.877 . . . . 0.0 109.397 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.7 m -131.84 138.31 48.44 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.265 -0.897 . . . . 0.0 109.529 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -135.47 98.43 3.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.333 -0.854 . . . . 0.0 109.324 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.29 83.68 1.9 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.228 -0.92 . . . . 0.0 109.605 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 t -81.36 39.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.222 -0.924 . . . . 0.0 109.08 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 7.8 mttt -106.44 175.85 1.91 Allowed Pre-proline 0 C--N 1.329 -0.302 0 O-C-N 121.416 -0.803 . . . . 0.0 109.318 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 11.3 Cg_endo -87.43 138.42 4.62 Favored 'Trans proline' 0 N--CA 1.476 0.475 0 C-N-CA 125.239 3.959 . . . . 0.0 109.805 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.07 5.36 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.338 -0.851 . . . . 0.0 109.306 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.7 p -65.22 110.53 2.6 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.288 -0.882 . . . . 0.0 109.331 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -131.5 79.9 68.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.283 -0.885 . . . . 0.0 109.539 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -30.8 112.23 0.04 OUTLIER 'Trans proline' 0 N--CA 1.482 0.824 1 C-N-CA 125.978 4.452 . . . . 0.0 111.221 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 mt -73.03 -34.77 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -113.67 -105.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.02 23.9 12.15 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.615 -0.678 . . . . 0.0 109.909 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 114.97 -14.28 19.4 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 119.64 -1.267 . . . . 0.0 110.432 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.447 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 9.6 pt -56.87 -28.22 27.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 O-C-N 120.905 -1.35 . . . . 0.0 109.275 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 26.3 m-85 -136.39 104.64 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.258 -0.901 . . . . 0.0 109.513 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.1 m -113.62 96.8 6.06 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.181 -0.949 . . . . 0.0 109.36 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 O-C-N 121.196 -0.94 . . . . 0.0 109.365 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -103.91 -5.32 22.41 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.256 -0.902 . . . . 0.0 109.385 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 65.54 149.98 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.235 -0.916 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.8 t -57.4 -96.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 O-C-N 121.359 -0.838 . . . . 0.0 109.675 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -124.83 -75.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.222 -0.924 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.433 ' HZ3' ' HB3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 71.56 -45.4 0.62 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.77 -0.581 . . . . 0.0 109.81 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.48 56.8 1.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.008 -1.058 . . . . 0.0 109.533 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m -66.29 174.35 1.78 Allowed Pre-proline 0 CA--C 1.532 0.286 0 O-C-N 121.267 -0.896 . . . . 0.0 109.022 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -87.27 -178.24 2.38 Favored 'Trans proline' 0 N--CA 1.478 0.594 0 C-N-CA 125.247 3.964 . . . . 0.0 110.477 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.08 174.51 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.284 -0.885 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 m120 56.41 19.74 4.26 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.205 -0.934 . . . . 0.0 109.284 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 1.9 p -156.0 136.31 13.05 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.326 -0.859 . . . . 0.0 109.346 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.23 161.8 12.84 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.92 139.31 39.21 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.376 -1.073 . . . . 0.0 109.32 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.503 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 43.6 t80 -143.75 131.99 21.95 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.155 -0.965 . . . . 0.0 109.542 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -83.89 116.04 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.253 -0.904 . . . . 0.0 109.093 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.02 139.87 33.21 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.349 -0.844 . . . . 0.0 109.556 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.526 ' CD2' ' H ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -65.69 -8.33 20.25 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.291 -0.881 . . . . 0.0 109.012 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.11 30.35 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.379 -0.826 . . . . 0.0 109.391 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 63.25 39.11 9.9 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.221 -0.924 . . . . 0.0 109.56 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -127.74 177.66 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.248 -0.907 . . . . 0.0 109.374 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HB3' ' HZ3' ' A' ' 10' ' ' LYS . 1.5 mt-10 -132.52 136.9 46.94 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.205 -0.935 . . . . 0.0 109.568 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -162.3 159.56 25.66 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.299 -0.876 . . . . 0.0 109.298 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.7 m -105.27 120.24 41.06 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.242 -0.911 . . . . 0.0 109.256 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 136.74 43.44 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.167 -0.958 . . . . 0.0 109.099 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 3.3 m -55.14 155.07 5.03 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.218 -0.926 . . . . 0.0 109.63 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.3 mt -68.26 -166.01 0.06 Allowed 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.254 -0.904 . . . . 0.0 109.832 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.95 158.69 34.99 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.341 -0.849 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 57.23 17.55 3.68 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.294 -0.879 . . . . 0.0 109.399 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -130.22 119.06 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.36 -0.838 . . . . 0.0 109.509 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.52 -173.51 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.185 -0.947 . . . . 0.0 109.164 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -119.54 134.55 55.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.548 -0.72 . . . . 0.0 109.575 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -136.03 75.26 1.54 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.327 -0.858 . . . . 0.0 109.34 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.02 -89.71 1.22 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.1 3.76 2.21 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.223 -1.163 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.94 118.54 21.81 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.353 -0.842 . . . . 0.0 109.122 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.6 m -69.85 147.43 50.35 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.151 -0.968 . . . . 0.0 109.449 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.3 m -125.73 179.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 O-C-N 121.268 -0.895 . . . . 0.0 109.26 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.68 138.61 41.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.215 -0.928 . . . . 0.0 109.524 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -115.18 120.46 36.73 Favored Pre-proline 0 CA--C 1.536 0.43 0 O-C-N 121.301 -0.874 . . . . 0.0 109.343 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -90.38 -17.12 1.55 Allowed 'Trans proline' 0 N--CA 1.478 0.562 0 C-N-CA 124.709 3.606 . . . . 0.0 110.222 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.29 85.15 39.4 Favored Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.242 -0.911 . . . . 0.0 109.323 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -90.3 142.37 3.62 Favored 'Trans proline' 0 N--CA 1.477 0.529 1 C-N-CA 125.523 4.149 . . . . 0.0 110.41 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 t -137.7 -165.32 1.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.252 -0.905 . . . . 0.0 109.263 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.402 ' C ' ' H ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -111.79 -27.33 8.54 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.261 -0.9 . . . . 0.0 108.794 179.771 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -69.95 0.48 5.86 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.5 pt-20 -97.86 51.36 1.05 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p30 41.95 71.96 0.19 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.214 0.53 . . . . 0.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 6.5 t-20 60.32 84.64 0.12 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.726 0.774 . . . . 0.0 109.189 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.94 42.18 2.97 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.95 -17.0 6.38 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 107.846 -2.102 . . . . 0.0 107.846 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ASP . 24.5 m -110.74 112.62 24.62 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.507 -0.996 . . . . 0.0 108.612 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' CYS . 6.5 t0 -29.29 140.14 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.209 0.528 . . . . 0.0 111.765 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.38 -30.5 40.16 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -93.8 -14.63 25.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -79.58 174.36 11.66 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.269 -0.895 . . . . 0.0 109.357 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.64 156.8 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 25.0 t -128.75 143.07 50.83 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.078 -1.014 . . . . 0.0 109.732 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.36 141.56 45.58 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.34 -0.85 . . . . 0.0 109.391 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.01 14.55 4.26 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 . . . . . 0 CA--C 1.531 0.221 0 O-C-N 121.403 -0.811 . . . . 0.0 109.599 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -76.92 118.61 19.68 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.305 -0.872 . . . . 0.0 109.531 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 mm -113.89 112.78 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 O-C-N 121.236 -0.915 . . . . 0.0 109.274 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.59 163.14 12.39 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.223 -0.923 . . . . 0.0 109.53 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 56.4 m -137.12 126.38 24.73 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.258 -0.901 . . . . 0.0 109.568 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -122.61 96.45 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.286 -0.884 . . . . 0.0 108.796 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 95.3 m -53.05 116.1 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.392 -0.818 . . . . 0.0 110.269 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 t -78.91 6.71 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.419 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -58.49 177.25 0.24 Allowed Pre-proline 0 C--N 1.332 -0.18 0 O-C-N 121.541 -0.725 . . . . 0.0 109.222 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 9.8 Cg_endo -84.45 -85.75 0.0 OUTLIER 'Trans proline' 0 N--CA 1.476 0.443 0 C-N-CA 124.9 3.733 . . . . 0.0 109.842 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.89 -27.17 60.3 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 42.88 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.099 0.476 . . . . 0.0 110.965 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -129.21 70.98 82.02 Favored Pre-proline 0 C--N 1.332 -0.19 0 O-C-N 120.828 -1.17 . . . . 0.0 110.2 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -37.05 113.36 0.11 Allowed 'Trans proline' 0 N--CA 1.481 0.759 1 C-N-CA 125.486 4.124 . . . . 0.0 110.044 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.05 -59.11 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.14 -0.975 . . . . 0.0 108.467 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.426 ' CD2' HD13 ' A' ' 90' ' ' ILE . 84.2 m-85 -92.94 -102.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.75 21.02 12.16 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.167 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.17 -20.06 6.33 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 119.577 -1.297 . . . . 0.0 110.7 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.426 HD13 ' CD2' ' A' ' 87' ' ' PHE . 5.7 pt -55.47 -37.99 47.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 O-C-N 120.938 -1.331 . . . . 0.0 109.491 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.503 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 9.9 m-85 -132.2 133.94 44.77 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.205 -0.934 . . . . 0.0 109.216 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.38 152.95 25.63 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.145 -0.972 . . . . 0.0 109.141 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 O-C-N 121.197 -0.939 . . . . 0.0 109.734 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 6' ' ' GLN . 4.7 p-80 . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.403 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 0.5 OUTLIER 59.48 68.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.313 -0.867 . . . . 0.0 109.822 179.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.17 120.69 11.4 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.131 -0.981 . . . . 0.0 108.898 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.467 HG21 ' H ' ' A' ' 9' ' ' LYS . 2.6 m -80.7 -44.03 21.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 O-C-N 121.196 -0.94 . . . . 0.0 109.969 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' H ' HG21 ' A' ' 8' ' ' VAL . 6.6 tttt -165.78 100.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.128 -0.983 . . . . 0.0 109.288 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.85 138.91 25.96 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.314 -0.867 . . . . 0.0 109.641 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.28 -90.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.247 -0.908 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.5 t 66.54 122.17 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.644 0 O-C-N 121.492 -0.755 . . . . 0.0 109.136 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -89.73 178.6 2.33 Favored 'Trans proline' 0 N--CA 1.483 0.871 0 C-N-CA 124.68 3.587 . . . . 0.0 111.592 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -59.62 -179.33 0.09 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.486 -0.759 . . . . 0.0 109.354 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 55.02 25.49 6.99 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t 177.6 142.36 0.09 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.533 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -120.01 174.08 15.45 Favored Glycine 0 CA--C 1.533 1.194 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.15 168.3 13.37 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.14 -1.212 . . . . 0.0 109.747 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -162.21 122.27 2.46 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.307 -0.871 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -70.62 115.29 9.61 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.298 -0.876 . . . . 0.0 109.367 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.406 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.78 139.63 38.88 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.279 -0.888 . . . . 0.0 109.467 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.412 ' H ' ' CD1' ' A' ' 22' ' ' LEU . 6.6 mp -64.05 -8.34 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.294 -0.879 . . . . 0.0 109.235 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.22 36.17 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.276 -0.89 . . . . 0.0 109.399 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 57.68 41.47 25.3 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.243 -0.911 . . . . 0.0 109.496 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -131.3 178.24 6.86 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.255 -0.903 . . . . 0.0 109.388 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -132.56 131.2 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.242 -0.911 . . . . 0.0 109.52 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 2.7 mt-10 -146.33 159.17 43.71 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.332 -0.855 . . . . 0.0 109.31 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.65 110.13 22.08 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.21 -0.931 . . . . 0.0 108.872 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 7.6 ttmt -100.08 161.87 13.33 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 121.307 -0.871 . . . . 0.0 109.324 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.482 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.8 m -90.27 176.69 6.65 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 120.973 -1.079 . . . . 0.0 110.096 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.8 mt -79.67 -164.94 0.72 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.339 -0.851 . . . . 0.0 109.933 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.45 150.57 41.56 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.36 -0.838 . . . . 0.0 109.977 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 53.86 21.42 2.77 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.404 -0.81 . . . . 0.0 110.033 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -117.09 163.6 16.01 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.154 -0.966 . . . . 0.0 109.302 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.08 179.74 5.82 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.465 -0.772 . . . . 0.0 109.229 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -112.47 127.94 56.19 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.321 -0.862 . . . . 0.0 109.43 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -123.61 94.56 4.28 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.251 -0.905 . . . . 0.0 109.531 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.5 -95.42 0.38 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -127.5 13.75 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.215 -1.168 . . . . 0.0 109.474 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.18 116.8 9.73 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.285 -0.884 . . . . 0.0 109.607 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 95.1 m -70.55 152.65 43.73 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.171 -0.955 . . . . 0.0 109.113 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.3 m -133.34 -178.73 2.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 O-C-N 121.109 -0.994 . . . . 0.0 110.019 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.06 126.19 29.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.379 -0.826 . . . . 0.0 109.434 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.46 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 8.7 t-20 -104.46 131.82 21.52 Favored Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 121.247 -0.908 . . . . 0.0 109.39 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.8 Cg_endo -92.56 -15.06 1.17 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 124.763 3.642 . . . . 0.0 110.052 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -137.29 93.59 12.85 Favored Pre-proline 0 CA--C 1.534 0.347 0 O-C-N 121.35 -0.844 . . . . 0.0 110.029 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -91.3 178.93 1.68 Allowed 'Trans proline' 0 N--CA 1.478 0.569 1 C-N-CA 125.429 4.086 . . . . 0.0 109.874 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.412 ' CG2' ' HB2' ' A' ' 51' ' ' GLU . 14.9 t -162.73 -147.23 0.12 Allowed 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.019 -1.051 . . . . 0.0 109.992 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 76.9 m -149.37 -45.22 0.14 Allowed 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -68.79 4.71 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.551 -0.718 . . . . 0.0 110.116 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' HB2' ' CG2' ' A' ' 48' ' ' THR . 75.5 mt-10 -107.08 62.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.051 -1.031 . . . . 0.0 108.837 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.41 73.03 0.13 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.143 0.497 . . . . 0.0 110.053 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.477 HD21 ' C ' ' A' ' 56' ' ' CYS . 0.1 OUTLIER 65.41 96.15 0.05 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 122.618 1.199 . . . . 0.0 108.598 -179.554 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.59 21.67 31.47 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 107.885 -2.086 . . . . 0.0 107.885 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.61 -8.07 3.95 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 108.211 -1.956 . . . . 0.0 108.211 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.477 ' C ' HD21 ' A' ' 53' ' ' ASN . 73.1 m -111.66 138.72 47.86 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.339 -1.095 . . . . 0.0 109.147 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.463 ' HA ' ' HZ2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -40.57 144.86 0.21 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.104 0.478 . . . . 0.0 110.393 -179.261 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.32 -35.38 37.75 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.537 -0.727 . . . . 0.0 109.886 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.408 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -97.2 5.25 50.42 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.235 -0.916 . . . . 0.0 109.672 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.59 140.54 29.35 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.093 -1.004 . . . . 0.0 109.691 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -70.24 103.35 2.34 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.261 -0.899 . . . . 0.0 109.046 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.9 t -85.73 142.0 29.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.422 -0.799 . . . . 0.0 109.234 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.69 143.1 43.21 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.141 -0.975 . . . . 0.0 109.794 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -143.43 8.86 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.343 -0.848 . . . . 0.0 109.426 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 C--N 1.331 -0.232 0 O-C-N 121.229 -0.919 . . . . 0.0 109.701 -179.898 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 121.245 0.545 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.33 117.93 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.453 -0.779 . . . . 0.0 109.962 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 74' ' ' ILE . 17.0 mm -136.01 149.47 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 121.054 -1.029 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.49 142.36 43.53 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.257 -0.902 . . . . 0.0 109.409 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 57.6 m -117.23 115.04 24.52 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.243 -0.911 . . . . 0.0 109.263 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -123.95 94.17 4.15 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.107 -0.995 . . . . 0.0 109.442 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.38 96.54 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.19 -0.944 . . . . 0.0 109.053 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.2 t -84.99 42.16 0.91 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.256 -0.902 . . . . 0.0 109.817 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -111.25 170.94 4.74 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 121.082 -1.011 . . . . 0.0 109.305 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -86.29 -53.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.578 0 C-N-CA 125.169 3.912 . . . . 0.0 109.78 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -81.1 15.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.356 -0.84 . . . . 0.0 108.791 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.05 115.36 6.02 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.458 -0.776 . . . . 0.0 109.45 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -138.65 70.97 44.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 121.257 -0.902 . . . . 0.0 109.161 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -31.33 120.29 0.08 OUTLIER 'Trans proline' 0 N--CA 1.48 0.713 1 C-N-CA 126.167 4.578 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.3 mt -82.58 -30.6 29.47 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -110.72 -101.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.51 25.96 6.41 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.229 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.66 23.65 5.28 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 119.503 -1.332 . . . . 0.0 110.539 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.452 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -107.84 -14.92 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 O-C-N 120.953 -1.322 . . . . 0.0 109.315 179.581 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.452 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 20.3 m-85 -132.74 65.51 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.236 -0.915 . . . . 0.0 109.908 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 52.83 2.62 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.081 -1.012 . . . . 0.0 109.152 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.331 -0.217 0 O-C-N 121.283 -0.886 . . . . 0.0 109.563 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 121.319 0.581 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -140.64 32.59 1.83 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.277 -0.889 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.462 ' HB2' ' HZ3' ' A' ' 10' ' ' LYS . 26.2 p -56.78 139.24 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.267 -0.896 . . . . 0.0 109.364 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.86 147.19 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 O-C-N 121.264 -0.898 . . . . 0.0 109.52 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt 54.72 62.25 2.62 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.246 -0.909 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HZ3' ' HB2' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -128.68 -58.27 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.226 -0.921 . . . . 0.0 109.552 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 55.58 62.03 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.283 -0.885 . . . . 0.0 109.173 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 m -68.1 173.08 3.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.258 -0.901 . . . . 0.0 109.222 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -90.07 160.57 4.84 Favored 'Trans proline' 0 N--CA 1.478 0.599 1 C-N-CA 125.552 4.168 . . . . 0.0 110.438 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -54.83 172.23 0.11 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 121.284 -0.885 . . . . 0.0 109.373 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 m120 55.0 35.52 24.84 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.267 -0.895 . . . . 0.0 109.036 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -168.6 116.94 0.69 Allowed 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.319 -0.863 . . . . 0.0 109.562 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.97 155.51 22.0 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 155.48 22.85 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.207 -1.173 . . . . 0.0 109.61 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -160.58 132.08 5.79 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.298 -0.876 . . . . 0.0 109.427 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -82.58 117.49 22.6 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.313 -0.867 . . . . 0.0 109.114 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.94 133.14 43.13 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.361 -0.837 . . . . 0.0 109.608 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 4.5 mm? -59.12 -15.24 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.371 -0.831 . . . . 0.0 109.485 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.41 30.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.3 -0.875 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.76 37.65 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.229 -0.919 . . . . 0.0 109.66 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -127.83 177.89 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.193 -0.942 . . . . 0.0 109.225 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -135.41 136.82 41.7 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.212 -0.93 . . . . 0.0 109.596 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -160.76 161.01 31.99 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.213 -0.929 . . . . 0.0 109.589 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.8 m -112.04 119.3 37.98 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.326 -0.859 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -98.41 141.88 30.73 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.126 -0.984 . . . . 0.0 108.72 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 m -59.56 160.93 6.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 120.952 -1.093 . . . . 0.0 109.829 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 mt -68.43 -168.1 0.11 Allowed 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.318 -0.864 . . . . 0.0 109.643 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.97 155.61 39.67 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.316 -0.865 . . . . 0.0 109.53 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m120 56.9 18.14 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.31 -0.869 . . . . 0.0 109.441 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -124.85 117.33 23.89 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.319 -0.863 . . . . 0.0 108.959 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -102.13 -173.06 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.078 -1.014 . . . . 0.0 109.619 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -108.92 146.58 33.55 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.55 -0.719 . . . . 0.0 109.442 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -156.58 69.34 0.61 Allowed 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.196 -0.94 . . . . 0.0 109.365 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.58 -103.35 2.23 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -126.82 2.13 6.68 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.236 -1.155 . . . . 0.0 109.4 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -133.62 134.48 43.28 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.288 -0.883 . . . . 0.0 109.375 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.4 m -73.44 139.19 45.67 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.139 -0.976 . . . . 0.0 109.376 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.1 m -114.24 -179.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 121.204 -0.935 . . . . 0.0 109.468 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.4 135.34 44.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.279 -0.888 . . . . 0.0 109.244 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -102.5 111.41 64.61 Favored Pre-proline 0 CA--C 1.534 0.334 0 O-C-N 121.257 -0.902 . . . . 0.0 109.602 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -87.87 -14.29 3.6 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 124.82 3.68 . . . . 0.0 109.76 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -146.19 82.53 9.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 121.495 -0.753 . . . . 0.0 109.125 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -89.01 159.31 5.87 Favored 'Trans proline' 0 N--CA 1.478 0.578 1 C-N-CA 125.467 4.112 . . . . 0.0 110.033 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.8 t -149.47 -172.83 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.157 -0.964 . . . . 0.0 109.886 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 87.2 m -112.5 -31.26 6.85 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.42 -0.8 . . . . 0.0 108.887 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -58.98 -14.8 10.31 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.318 -0.863 . . . . 0.0 109.114 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -76.72 59.43 1.55 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 42.14 57.78 3.17 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.974 0.416 . . . . 0.0 111.566 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.503 HD21 ' CA ' ' A' ' 58' ' ' ALA . 7.1 t30 66.06 69.26 0.44 Allowed 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.16 -0.962 . . . . 0.0 109.547 178.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.97 -43.0 6.12 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.94 -20.55 67.63 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.472 ' HB3' HD22 ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.62 160.33 17.33 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.171 -1.194 . . . . 0.0 110.372 -179.788 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.41 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.5 OUTLIER -52.17 -91.73 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.566 -0.709 . . . . 0.0 109.747 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.503 ' CA ' HD21 ' A' ' 53' ' ' ASN . . . -151.68 -13.23 0.2 Allowed 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.269 -0.895 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -126.16 -15.36 5.79 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.204 -0.935 . . . . 0.0 109.551 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.52 176.65 4.55 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.217 -0.927 . . . . 0.0 109.495 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -103.21 122.9 45.7 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.221 -0.924 . . . . 0.0 109.509 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.8 t -93.79 155.04 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.354 -0.841 . . . . 0.0 109.436 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.24 152.89 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.127 -0.983 . . . . 0.0 109.564 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -143.04 3.81 1.41 Allowed 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.19 -0.944 . . . . 0.0 109.524 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.33 -0.275 0 O-C-N 121.29 -0.882 . . . . 0.0 109.534 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 121.298 0.571 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.66 121.43 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.511 -0.743 . . . . 0.0 109.675 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.8 mm -131.34 107.56 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 121.074 -1.016 . . . . 0.0 109.712 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.78 150.96 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.342 -0.849 . . . . 0.0 108.951 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -135.68 154.22 51.35 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.209 -0.932 . . . . 0.0 109.988 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -152.18 105.69 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.1 m -74.76 123.33 24.77 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.243 -0.91 . . . . 0.0 109.67 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.7 t -85.48 24.56 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.293 -0.879 . . . . 0.0 109.152 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -87.93 168.51 16.59 Favored Pre-proline 0 C--N 1.329 -0.296 0 O-C-N 121.374 -0.829 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -83.51 128.28 4.66 Favored 'Trans proline' 0 N--CA 1.479 0.636 0 C-N-CA 124.881 3.721 . . . . 0.0 109.472 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 t0 72.63 -53.52 0.7 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.411 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER 62.16 152.15 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.652 0.739 . . . . 0.0 110.174 179.22 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.411 ' CD2' ' O ' ' A' ' 83' ' ' SER . 59.3 m-85 -155.37 99.9 2.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 121.341 -0.85 . . . . 0.0 108.816 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -86.96 116.09 1.24 Allowed 'Trans proline' 0 N--CA 1.478 0.591 0 C-N-CA 125.128 3.885 . . . . 0.0 110.579 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.4 mt -78.73 -8.66 58.94 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -144.55 -110.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.82 25.64 11.56 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 121.55 -0.718 . . . . 0.0 109.71 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.21 14.53 30.47 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 119.701 -1.238 . . . . 0.0 110.113 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -94.45 8.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 O-C-N 121.047 -1.267 . . . . 0.0 109.304 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -153.05 43.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.355 -0.84 . . . . 0.0 109.215 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.3 m -53.44 116.43 2.45 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.367 -0.833 . . . . 0.0 109.6 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.331 -0.237 0 O-C-N 121.325 -0.859 . . . . 0.0 109.428 179.994 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 . . . . . 0 CA--C 1.53 0.191 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 89.33 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.285 -0.884 . . . . 0.0 109.313 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.59 139.32 38.66 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.341 -0.85 . . . . 0.0 109.439 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.432 ' H ' HG21 ' A' ' 8' ' ' VAL . 28.9 m -91.82 -49.24 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.159 -0.963 . . . . 0.0 109.605 -179.872 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -135.8 30.65 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.222 -0.924 . . . . 0.0 109.505 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.08 162.94 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.12 -0.988 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -156.47 108.07 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.237 -0.915 . . . . 0.0 109.307 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 172.32 5.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 121.307 -0.871 . . . . 0.0 109.197 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -90.6 170.15 3.72 Favored 'Trans proline' 0 N--CA 1.476 0.465 1 C-N-CA 125.544 4.162 . . . . 0.0 110.229 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -55.29 174.5 0.09 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.259 -0.901 . . . . 0.0 109.265 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 55.34 22.89 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.146 -0.971 . . . . 0.0 109.202 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 35.9 t -167.86 148.31 5.1 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.203 -0.936 . . . . 0.0 110.021 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.33 -175.12 13.92 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.97 138.1 31.71 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.112 -1.228 . . . . 0.0 109.666 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 1.6 t80 -144.99 44.8 1.35 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.818 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.482 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 12.3 ttm180 -87.91 81.26 7.57 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.299 -0.875 . . . . 0.0 109.411 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.518 ' H ' ' HB2' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -148.67 -164.78 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.015 -1.053 . . . . 0.0 109.563 179.458 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.437 ' HG ' ' CG ' ' A' ' 21' ' ' HIS . 3.6 mt 72.18 -52.57 0.7 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.28 13.91 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.768 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 57.2 30.14 17.86 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.731 -0.606 . . . . 0.0 109.436 -179.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.38 48.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.228 -0.92 . . . . 0.0 109.752 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HB2' ' H ' ' A' ' 21' ' ' HIS . 4.9 mm-40 -84.52 -110.0 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.258 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.39 176.5 0.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 O-C-N 120.805 -1.184 . . . . 0.0 109.759 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.1 m -73.55 132.7 43.13 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.309 -0.869 . . . . 0.0 109.49 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -108.47 134.95 50.55 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.288 -0.883 . . . . 0.0 108.806 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 2.6 m -61.59 167.38 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.049 -1.032 . . . . 0.0 109.764 -179.51 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 87' ' ' PHE . 78.3 mt -80.41 -164.49 0.71 Allowed 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.24 -0.913 . . . . 0.0 109.89 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.3 158.75 35.34 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.35 -0.844 . . . . 0.0 109.609 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m120 56.0 18.59 3.19 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.271 -0.893 . . . . 0.0 109.706 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -128.33 149.03 50.69 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.234 -0.916 . . . . 0.0 109.338 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 13.3 ptmt -129.72 -176.18 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.315 -0.865 . . . . 0.0 108.862 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -116.71 141.46 48.17 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.356 -0.84 . . . . 0.0 109.499 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -159.21 103.97 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.187 -0.946 . . . . 0.0 109.472 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.39 -100.51 2.36 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -134.83 -0.11 2.87 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.226 -1.161 . . . . 0.0 109.421 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -131.72 150.35 52.18 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.247 -0.908 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.6 m -86.25 147.37 26.12 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.032 -1.043 . . . . 0.0 109.482 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.404 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 22.4 m -124.83 -179.69 2.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 O-C-N 121.234 -0.916 . . . . 0.0 109.482 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.63 144.75 54.39 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.141 -0.974 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -123.75 68.4 42.91 Favored Pre-proline 0 CA--C 1.53 0.182 0 O-C-N 121.241 -0.912 . . . . 0.0 109.815 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -34.49 -33.59 0.08 OUTLIER 'Trans proline' 0 N--CA 1.482 0.814 1 C-N-CA 125.879 4.386 . . . . 0.0 110.559 179.502 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -135.66 91.59 17.97 Favored Pre-proline 0 CA--C 1.533 0.309 0 O-C-N 121.272 -0.893 . . . . 0.0 109.345 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -89.39 154.44 5.45 Favored 'Trans proline' 0 N--CA 1.478 0.612 1 C-N-CA 125.36 4.04 . . . . 0.0 110.485 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.2 t -137.24 -175.2 3.97 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.308 -0.87 . . . . 0.0 109.635 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.41 ' C ' ' H ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -113.25 -25.52 8.83 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.311 -0.868 . . . . 0.0 108.946 179.789 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -68.89 -0.65 5.79 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.298 -0.876 . . . . 0.0 108.758 179.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.6 pt-20 -95.31 49.83 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 179.363 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 42.03 71.91 0.19 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.199 0.524 . . . . 0.0 110.272 -179.093 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 7.8 t-20 59.68 82.29 0.15 Allowed 'General case' 0 N--CA 1.464 0.251 0 O-C-N 121.448 -0.782 . . . . 0.0 108.968 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.67 -41.71 64.0 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 108.036 -2.026 . . . . 0.0 108.036 178.611 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.91 -3.25 0.27 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 107.531 -2.227 . . . . 0.0 107.531 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' ASP . 59.6 m -111.84 118.93 36.89 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.529 -0.983 . . . . 0.0 109.225 179.549 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' HB2' ' H ' ' A' ' 92' ' ' CYS . 0.5 OUTLIER -32.78 138.26 0.06 Allowed 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.404 0.621 . . . . 0.0 111.542 -179.272 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.88 -34.26 62.83 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.39 -0.819 . . . . 0.0 108.906 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.8 -10.2 58.24 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.422 -0.799 . . . . 0.0 109.075 179.788 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.2 165.73 11.91 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.211 -0.931 . . . . 0.0 109.5 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -91.87 169.84 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.351 -0.843 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.1 t -139.94 137.68 34.96 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.307 -0.871 . . . . 0.0 109.485 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -119.96 139.92 51.72 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.275 -0.891 . . . . 0.0 109.488 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.74 17.0 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.253 -0.905 . . . . 0.0 109.492 -179.855 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 . . . . . 0 C--N 1.33 -0.255 0 O-C-N 121.373 -0.829 . . . . 0.0 109.483 179.957 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 160.62 15.48 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.252 -0.905 . . . . 0.0 109.452 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.2 mm -141.98 113.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 O-C-N 121.245 -0.91 . . . . 0.0 109.482 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.9 162.2 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.276 -0.89 . . . . 0.0 109.396 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.8 m -126.25 141.32 51.96 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.211 -0.931 . . . . 0.0 109.366 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -144.4 114.05 7.18 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.273 -0.892 . . . . 0.0 109.644 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 113.64 24.99 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.189 -0.944 . . . . 0.0 109.177 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -84.64 22.52 1.3 Allowed 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.212 -0.93 . . . . 0.0 109.787 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.401 ' N ' ' CD ' ' A' ' 80' ' ' LYS . 7.6 mptt -82.94 171.06 12.57 Favored Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 121.227 -0.921 . . . . 0.0 109.395 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -86.33 125.85 2.62 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 124.979 3.786 . . . . 0.0 109.039 179.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t0 72.67 -50.82 0.7 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.22 157.58 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.493 -0.754 . . . . 0.0 110.237 179.1 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -149.88 95.42 3.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -89.53 116.31 0.69 Allowed 'Trans proline' 0 N--CA 1.475 0.412 1 C-N-CA 125.307 4.004 . . . . 0.0 110.379 -179.335 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 9.7 mt -81.82 0.5 39.09 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.415 ' CD1' HD23 ' A' ' 31' ' ' LEU . 64.2 m-85 -154.27 -102.76 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.27 25.47 9.82 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 121.624 -0.672 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.44 -4.45 31.21 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 119.514 -1.326 . . . . 0.0 110.331 179.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.412 HD13 ' CD2' ' A' ' 87' ' ' PHE . 11.5 pt -65.45 -26.32 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 120.942 -1.328 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.471 ' CD1' ' CE1' ' A' ' 19' ' ' PHE . 14.6 m-85 -130.31 72.8 1.5 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.278 -0.889 . . . . 0.0 110.232 -179.716 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . 0.422 ' H ' ' HB2' ' A' ' 57' ' ' ASP . 5.1 m -76.63 135.0 39.16 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 120.957 -1.089 . . . . 0.0 108.925 179.354 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.33 -0.239 0 O-C-N 121.058 -1.026 . . . . 0.0 109.72 -179.907 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -68.66 -49.38 59.54 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.594 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t 66.26 118.01 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.303 -0.873 . . . . 0.0 109.446 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.72 -144.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 121.2 -0.937 . . . . 0.0 109.641 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.492 ' H ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -66.65 -70.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.302 -0.874 . . . . 0.0 109.579 -179.867 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.492 ' H ' ' HG2' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 66.78 126.01 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.376 -0.828 . . . . 0.0 109.544 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -117.39 78.17 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.211 -0.93 . . . . 0.0 109.437 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.39 173.98 5.11 Favored Pre-proline 0 CA--C 1.531 0.219 0 O-C-N 121.254 -0.904 . . . . 0.0 109.243 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -88.85 158.83 6.07 Favored 'Trans proline' 0 N--CA 1.478 0.565 1 C-N-CA 125.437 4.092 . . . . 0.0 110.403 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -54.55 173.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 121.29 -0.881 . . . . 0.0 109.439 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 34' ' ' TYR . 4.6 m120 60.88 14.7 5.41 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.206 -0.934 . . . . 0.0 109.144 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -157.12 134.8 10.77 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.347 -0.846 . . . . 0.0 109.491 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.16 171.1 13.59 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.74 154.53 17.73 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.249 -1.148 . . . . 0.0 109.807 -179.764 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 40.5 t80 -154.76 146.97 23.78 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.318 -0.864 . . . . 0.0 109.162 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.67 115.58 24.22 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.271 -0.893 . . . . 0.0 109.542 -179.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.9 144.82 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.304 -0.873 . . . . 0.0 109.407 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.442 HD11 ' H ' ' A' ' 22' ' ' LEU . 7.9 mp -68.31 -0.96 5.37 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.211 -0.931 . . . . 0.0 109.25 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.22 28.66 7.49 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.269 -0.894 . . . . 0.0 109.333 179.805 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.66 36.04 6.63 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.252 -0.905 . . . . 0.0 109.518 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.5 178.82 5.42 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.162 -0.961 . . . . 0.0 109.383 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -136.33 138.66 41.89 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.203 -0.936 . . . . 0.0 109.479 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -158.12 160.52 37.39 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.205 -0.934 . . . . 0.0 109.595 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.1 m -104.37 110.14 22.27 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.273 -0.892 . . . . 0.0 109.396 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 136.04 36.92 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.214 -0.929 . . . . 0.0 109.023 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -58.48 146.3 35.79 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.149 -0.969 . . . . 0.0 109.199 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.421 HD23 ' CE1' ' A' ' 87' ' ' PHE . 78.0 mt -61.52 -166.93 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.211 -0.931 . . . . 0.0 109.869 -179.545 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 mt -73.39 167.43 21.28 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.366 -0.834 . . . . 0.0 109.665 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.0 m120 57.29 17.73 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.405 -0.81 . . . . 0.0 109.387 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 21.4 m-85 -131.06 173.19 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.366 -0.834 . . . . 0.0 109.355 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.89 -175.11 5.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.858 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.04 134.21 55.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.485 -0.76 . . . . 0.0 109.478 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -141.92 81.05 1.74 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.359 -0.838 . . . . 0.0 109.356 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.45 -92.83 1.72 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -136.45 -4.13 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.333 -1.098 . . . . 0.0 109.434 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -124.63 131.82 53.45 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.232 -0.917 . . . . 0.0 109.198 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 76.3 m -71.02 145.17 50.14 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.125 -0.984 . . . . 0.0 109.461 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -124.48 172.4 12.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 O-C-N 121.32 -0.863 . . . . 0.0 109.564 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -63.44 148.84 47.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.256 -0.903 . . . . 0.0 109.712 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -123.51 67.1 37.05 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 121.218 -0.926 . . . . 0.0 109.552 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -34.09 -33.62 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.774 1 C-N-CA 125.982 4.454 . . . . 0.0 110.678 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -138.8 92.73 11.08 Favored Pre-proline 0 CA--C 1.533 0.317 0 O-C-N 121.225 -0.922 . . . . 0.0 109.527 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -88.79 172.78 4.48 Favored 'Trans proline' 0 N--CA 1.479 0.648 0 C-N-CA 125.185 3.924 . . . . 0.0 110.004 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.8 t -158.25 -171.44 3.49 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.115 -0.99 . . . . 0.0 109.784 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 99.6 m -111.17 -31.52 7.07 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.427 -0.796 . . . . 0.0 108.931 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.02 -13.93 13.87 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.338 -0.851 . . . . 0.0 109.15 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -77.83 59.12 2.01 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 42.07 58.18 3.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.005 0.431 . . . . 0.0 111.455 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.2 70.68 0.42 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.184 -0.947 . . . . 0.0 109.33 178.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -84.99 -48.02 5.05 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 179.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.4 -15.91 72.73 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.25 162.4 15.01 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.005 -1.291 . . . . 0.0 109.98 -179.739 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.18 -87.55 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.597 -0.69 . . . . 0.0 109.711 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.81 -9.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.411 -0.806 . . . . 0.0 109.031 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -138.86 -7.92 1.4 Allowed 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.342 -0.849 . . . . 0.0 109.403 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.7 171.44 9.08 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.187 -0.945 . . . . 0.0 109.705 -179.723 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -91.13 115.02 27.68 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.273 -0.892 . . . . 0.0 109.309 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 25.0 t -92.4 141.64 28.31 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.172 -0.955 . . . . 0.0 109.691 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.98 155.25 40.54 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.264 -0.897 . . . . 0.0 109.38 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.38 30.65 6.21 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.18 -0.95 . . . . 0.0 109.588 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.33 -0.264 0 O-C-N 121.17 -0.956 . . . . 0.0 109.612 -179.799 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -94.04 106.06 18.04 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.226 -0.921 . . . . 0.0 109.487 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mm -120.75 115.36 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 O-C-N 121.222 -0.924 . . . . 0.0 109.221 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.3 173.21 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.278 -0.889 . . . . 0.0 109.642 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.19 148.32 27.45 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.344 -0.847 . . . . 0.0 110.077 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -136.86 86.89 2.24 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.386 -0.821 . . . . 0.0 108.84 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.5 m -60.37 117.23 4.98 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.308 -0.87 . . . . 0.0 109.935 -179.439 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 t -71.1 0.77 6.9 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.27 -0.893 . . . . 0.0 108.835 179.335 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -62.35 168.99 3.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.461 -0.774 . . . . 0.0 109.231 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -79.38 130.94 9.31 Favored 'Trans proline' 0 N--CA 1.478 0.609 0 C-N-CA 124.641 3.561 . . . . 0.0 109.506 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 72.68 -53.11 0.7 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.165 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t 51.92 92.43 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.522 -0.736 . . . . 0.0 109.823 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.404 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 4.6 m-85 -116.14 81.9 10.81 Favored Pre-proline 0 C--N 1.33 -0.25 0 O-C-N 121.233 -0.917 . . . . 0.0 109.881 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 19.7 Cg_exo -33.1 151.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.483 0.889 1 C-N-CA 125.63 4.22 . . . . 0.0 110.665 179.615 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.2 mt -120.05 -2.31 10.25 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.268 -0.895 . . . . 0.0 109.726 -179.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.421 ' CE1' HD23 ' A' ' 31' ' ' LEU . 78.1 m-85 -152.22 -14.53 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.024 -1.048 . . . . 0.0 109.965 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 166.98 -46.36 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.635 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 179.34 7.51 0.02 OUTLIER Glycine 0 CA--C 1.529 0.931 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.466 HG13 ' H ' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -81.58 -86.94 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 O-C-N 121.056 -1.261 . . . . 0.0 108.913 179.751 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 12.4 m-85 -66.59 113.91 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.315 -0.865 . . . . 0.0 109.297 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 6.4 m -107.57 64.28 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.247 -0.908 . . . . 0.0 109.452 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.33 -0.242 0 O-C-N 121.272 -0.892 . . . . 0.0 109.394 179.982 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p80 . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.8 164.12 17.9 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.281 -0.887 . . . . 0.0 109.484 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.58 177.32 4.68 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.212 -0.93 . . . . 0.0 109.267 179.866 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.65 -12.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 O-C-N 121.259 -0.9 . . . . 0.0 109.508 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -144.54 48.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.386 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.493 ' CG ' ' H ' ' A' ' 11' ' ' GLN . 1.5 ttmm -139.17 -160.42 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.205 -0.934 . . . . 0.0 109.466 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.493 ' H ' ' CG ' ' A' ' 10' ' ' LYS . 4.0 mt-30 -162.91 49.66 0.16 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.245 -0.909 . . . . 0.0 109.603 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.2 t -54.83 131.81 66.33 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 121.217 -0.927 . . . . 0.0 108.59 179.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -83.55 -169.33 0.68 Allowed 'Trans proline' 0 N--CA 1.483 0.909 0 C-N-CA 124.319 3.346 . . . . 0.0 110.863 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -72.88 173.78 8.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 55.32 27.26 9.64 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.162 -0.961 . . . . 0.0 109.148 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.5 p -165.47 125.08 1.76 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.282 -0.886 . . . . 0.0 109.355 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.08 163.83 20.33 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.63 175.84 9.44 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.314 -1.109 . . . . 0.0 109.83 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.453 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 2.1 t80 -166.79 101.92 0.57 Allowed 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.478 -0.764 . . . . 0.0 109.165 -179.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.53 78.63 1.74 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 121.095 -1.003 . . . . 0.0 109.951 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.453 ' NE2' ' CZ ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -176.57 1.78 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.09 -1.006 . . . . 0.0 110.282 179.481 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.448 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 2.1 mp -109.92 -0.61 18.16 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.079 -1.013 . . . . 0.0 109.119 179.591 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.403 ' C ' ' H ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -154.68 8.23 0.31 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.504 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.62 1.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.659 -0.651 . . . . 0.0 109.623 -179.672 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' H ' ' C ' ' A' ' 23' ' ' ASP . 8.4 mtt180 -110.5 174.48 5.84 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.134 -0.979 . . . . 0.0 109.142 179.871 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 134.76 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.117 -0.989 . . . . 0.0 109.764 -179.828 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' CA ' ' HZ2' ' A' ' 10' ' ' LYS . 2.3 mt-10 -142.3 160.38 40.36 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.347 -0.846 . . . . 0.0 109.327 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.25 101.31 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.198 -0.938 . . . . 0.0 108.56 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 10.7 tttm -93.38 160.16 14.93 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 121.287 -0.883 . . . . 0.0 109.518 -179.126 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.463 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.0 m -80.07 156.97 26.84 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.121 -0.987 . . . . 0.0 109.775 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 mt -65.09 -164.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.247 -0.908 . . . . 0.0 109.222 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.15 162.94 27.57 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.131 -0.98 . . . . 0.0 109.526 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 59.11 16.94 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.279 -0.888 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -124.56 172.9 8.85 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.284 -0.885 . . . . 0.0 109.72 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -154.65 -173.32 4.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -108.37 138.2 45.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.486 -0.759 . . . . 0.0 109.762 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -159.36 102.11 1.56 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.259 -0.9 . . . . 0.0 109.312 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.83 -123.39 6.09 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -112.56 12.84 19.96 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.236 -1.156 . . . . 0.0 109.312 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.34 147.46 31.36 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.333 -0.855 . . . . 0.0 109.052 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.4 m -75.72 149.49 38.05 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.265 -0.897 . . . . 0.0 109.637 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.6 m -122.65 166.91 16.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 121.238 -0.914 . . . . 0.0 109.673 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -56.92 154.57 9.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.146 -0.971 . . . . 0.0 109.319 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.55 112.89 17.9 Favored Pre-proline 0 CA--C 1.535 0.369 0 O-C-N 121.164 -0.96 . . . . 0.0 109.717 -179.616 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -89.79 -15.89 2.05 Favored 'Trans proline' 0 N--CA 1.478 0.563 0 C-N-CA 124.892 3.728 . . . . 0.0 109.901 179.407 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -130.67 87.16 50.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.51 -0.744 . . . . 0.0 109.019 179.727 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -86.98 113.69 1.03 Allowed 'Trans proline' 0 N--CA 1.477 0.542 0 C-N-CA 125.273 3.982 . . . . 0.0 110.7 -179.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 t -119.05 -174.6 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.303 -0.873 . . . . 0.0 109.18 179.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' C ' ' H ' ' A' ' 51' ' ' GLU . 15.8 m -111.85 -25.74 9.29 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.231 -0.918 . . . . 0.0 108.953 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -69.51 -0.32 6.44 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.338 -0.851 . . . . 0.0 108.708 179.22 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' H ' ' C ' ' A' ' 49' ' ' CYS . 10.1 pt-20 -96.55 50.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.92 71.57 0.21 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.24 0.543 . . . . 0.0 110.396 -179.179 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 5.7 t30 60.21 85.2 0.11 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.552 0.691 . . . . 0.0 109.235 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.13 -42.32 84.47 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 107.762 -2.135 . . . . 0.0 107.762 178.342 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.13 -0.37 0.3 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 107.456 -2.258 . . . . 0.0 107.456 178.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASP . 75.2 m -111.15 111.52 22.65 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.632 -0.922 . . . . 0.0 109.314 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -28.11 140.41 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.376 0.607 . . . . 0.0 112.018 -179.374 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.38 -34.58 64.45 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.339 -0.85 . . . . 0.0 108.996 -179.773 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -82.05 -11.3 58.87 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.318 -0.864 . . . . 0.0 108.735 179.586 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.36 142.75 27.38 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.35 -0.844 . . . . 0.0 109.27 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.52 169.13 17.12 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.174 -0.954 . . . . 0.0 109.27 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.7 t -137.03 155.03 50.2 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.273 -0.892 . . . . 0.0 109.154 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.95 144.14 24.74 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.12 -0.988 . . . . 0.0 109.519 -179.757 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.47 -9.97 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.32 -0.863 . . . . 0.0 109.535 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--N 1.33 -0.241 0 O-C-N 121.294 -0.879 . . . . 0.0 109.734 -179.815 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.22 0 CA-C-O 121.195 0.522 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.14 121.43 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.656 0.741 . . . . 0.0 110.003 179.714 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.41 HG21 HD11 ' A' ' 74' ' ' ILE . 12.0 mm -138.89 156.47 28.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 121.193 -0.942 . . . . 0.0 109.001 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.66 149.45 35.7 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.144 -0.972 . . . . 0.0 109.568 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.9 m -115.45 136.31 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.355 -0.841 . . . . 0.0 109.21 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.26 84.9 2.3 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.21 -0.931 . . . . 0.0 109.573 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.64 112.28 6.76 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.294 -0.879 . . . . 0.0 109.139 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.1 t -89.54 41.32 1.03 Allowed 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.229 -0.92 . . . . 0.0 110.01 -179.416 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 169.14 6.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 O-C-N 121.151 -0.968 . . . . 0.0 109.17 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -84.01 127.82 4.2 Favored 'Trans proline' 0 N--CA 1.477 0.509 0 C-N-CA 124.901 3.734 . . . . 0.0 109.535 179.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.72 -52.62 0.7 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -178.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.83 160.01 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.401 -0.812 . . . . 0.0 110.17 179.245 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -148.93 94.06 4.11 Favored Pre-proline 0 C--N 1.328 -0.329 0 O-C-N 121.396 -0.815 . . . . 0.0 109.073 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -91.34 119.95 0.6 Allowed 'Trans proline' 0 N--CA 1.475 0.426 1 C-N-CA 125.605 4.203 . . . . 0.0 110.237 -179.68 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.423 ' HB2' ' CD2' ' A' ' 87' ' ' PHE . 21.3 mt -92.04 -24.29 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.295 -0.878 . . . . 0.0 108.942 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.423 ' CD2' ' HB2' ' A' ' 86' ' ' LEU . 42.8 m-85 -147.12 73.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER 75.94 -32.92 0.21 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.953 -0.467 . . . . 0.0 110.298 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.48 31.57 0.07 OUTLIER Glycine 0 CA--C 1.533 1.181 0 C-N-CA 118.964 -1.588 . . . . 0.0 111.273 179.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.454 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -91.95 -12.85 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 120.735 -1.45 . . . . 0.0 108.776 179.121 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.454 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 29.0 m-85 -131.85 38.95 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.444 -0.785 . . . . 0.0 109.116 179.48 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.31 165.21 0.38 Allowed 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.341 -0.849 . . . . 0.0 109.782 -179.83 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.29 0 O-C-N 121.316 -0.865 . . . . 0.0 109.241 179.795 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.444 ' CG ' ' N ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 6.2 tt0 -55.5 169.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.285 -0.885 . . . . 0.0 109.549 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.39 178.38 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.268 -0.895 . . . . 0.0 109.312 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.0 t -105.03 -67.56 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 O-C-N 121.28 -0.887 . . . . 0.0 109.592 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.8 35.95 4.5 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.276 -0.89 . . . . 0.0 109.439 -179.886 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.517 ' HZ3' ' N ' ' A' ' 11' ' ' GLN . 2.8 ttpp -106.4 175.92 5.34 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.276 -0.89 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.517 ' N ' ' HZ3' ' A' ' 10' ' ' LYS . 3.5 pt20 -148.5 99.12 2.98 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.225 -0.922 . . . . 0.0 110.07 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.474 ' HB2' ' HZ2' ' A' ' 10' ' ' LYS . 19.5 t -96.16 135.71 22.49 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.363 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -82.18 -169.34 0.74 Allowed 'Trans proline' 0 N--CA 1.483 0.874 0 C-N-CA 124.322 3.348 . . . . 0.0 110.925 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -73.93 174.45 8.53 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 m120 55.26 22.18 4.59 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.091 -1.006 . . . . 0.0 109.045 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 38.7 p -160.38 130.22 5.2 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.34 -0.85 . . . . 0.0 109.446 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.81 161.12 17.75 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.6 t -96.58 141.3 30.01 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.449 -1.03 . . . . 0.0 109.512 -179.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -138.16 112.4 8.63 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.207 -0.933 . . . . 0.0 109.449 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -63.89 114.38 4.04 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.18 -0.95 . . . . 0.0 109.319 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.43 139.4 37.35 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.289 -0.882 . . . . 0.0 109.446 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.78 -9.53 9.72 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.248 -0.907 . . . . 0.0 109.343 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.86 38.5 1.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.278 -0.889 . . . . 0.0 109.241 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 57.23 31.85 20.75 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.225 -0.922 . . . . 0.0 109.594 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.79 178.4 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.2 -0.937 . . . . 0.0 109.379 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -134.61 128.53 33.35 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.233 -0.917 . . . . 0.0 109.475 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.45 162.97 29.81 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.257 -0.902 . . . . 0.0 109.768 179.857 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -132.01 108.15 9.15 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -102.02 160.81 14.18 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.266 -0.896 . . . . 0.0 109.434 -179.17 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.7 m -78.8 152.19 31.52 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 120.979 -1.075 . . . . 0.0 109.364 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.421 HD23 ' CZ ' ' A' ' 87' ' ' PHE . 75.8 mt -62.14 -164.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.305 -0.872 . . . . 0.0 109.854 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.89 164.35 26.65 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.237 -0.914 . . . . 0.0 109.405 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 m120 56.72 17.36 3.12 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.25 -0.906 . . . . 0.0 109.599 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -125.02 174.57 7.92 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.309 -0.869 . . . . 0.0 109.602 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -159.5 -174.24 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -112.6 134.42 54.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.449 -0.782 . . . . 0.0 109.601 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -154.87 72.96 0.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.146 -0.971 . . . . 0.0 109.407 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.35 -131.01 10.41 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -101.92 15.49 28.85 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.248 -1.148 . . . . 0.0 109.479 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -151.55 153.19 34.06 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.247 -0.908 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.6 m -84.68 148.22 26.52 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.173 -0.955 . . . . 0.0 109.293 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -120.83 172.9 7.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 O-C-N 121.116 -0.99 . . . . 0.0 109.702 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 146.92 53.8 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.272 -0.892 . . . . 0.0 109.511 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -124.12 67.68 44.94 Favored Pre-proline 0 C--N 1.331 -0.232 0 O-C-N 121.281 -0.887 . . . . 0.0 109.446 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -33.86 -34.12 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.769 1 C-N-CA 125.973 4.449 . . . . 0.0 110.619 179.66 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -133.59 86.11 40.65 Favored Pre-proline 0 CA--C 1.532 0.251 0 O-C-N 121.25 -0.906 . . . . 0.0 109.529 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -89.23 165.99 5.52 Favored 'Trans proline' 0 N--CA 1.478 0.609 1 C-N-CA 125.504 4.136 . . . . 0.0 110.197 179.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.425 ' CG2' ' CG ' ' A' ' 51' ' ' GLU . 9.4 t -159.9 -167.41 1.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.21 -0.931 . . . . 0.0 109.818 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.7 m -104.42 -20.5 13.7 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -62.5 -12.67 23.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.425 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 2.4 mt-10 -75.1 53.78 0.64 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.078 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 p30 42.07 59.1 2.7 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 109.947 -178.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.428 HD21 ' C ' ' A' ' 57' ' ' ASP . 6.6 t30 66.72 55.59 0.76 Allowed 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.467 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.47 -46.05 16.41 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.04 -16.3 75.06 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.1 m -111.43 161.69 15.85 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 120.981 -1.305 . . . . 0.0 110.422 -179.596 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.428 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.7 OUTLIER -64.13 -92.24 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.371 -0.83 . . . . 0.0 109.472 179.852 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.424 ' H ' ' CG ' ' A' ' 57' ' ' ASP . . . -151.69 -9.89 0.21 Allowed 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.261 -0.9 . . . . 0.0 109.422 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -132.71 -14.5 2.8 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.275 -0.89 . . . . 0.0 109.599 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.81 167.11 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.187 -0.946 . . . . 0.0 109.547 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -87.49 125.38 34.28 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.255 -0.903 . . . . 0.0 109.408 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.84 159.07 15.16 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.185 -0.947 . . . . 0.0 109.81 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.62 156.67 30.48 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.441 -0.787 . . . . 0.0 109.083 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -138.72 18.61 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.075 -1.016 . . . . 0.0 109.6 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 . . . . . 0 C--N 1.331 -0.227 0 O-C-N 121.311 -0.868 . . . . 0.0 109.339 179.924 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 150.55 48.53 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.23 -0.919 . . . . 0.0 109.427 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.2 mm -124.13 152.94 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.26 -0.9 . . . . 0.0 109.291 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 m -147.23 157.45 43.6 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.187 -0.946 . . . . 0.0 109.47 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -159.61 145.18 15.75 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.179 -0.95 . . . . 0.0 109.519 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -144.74 111.86 5.96 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.331 -0.856 . . . . 0.0 109.098 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.408 ' C ' ' H ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -82.38 75.93 9.27 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.245 -0.909 . . . . 0.0 109.149 -179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -75.67 44.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.271 -0.893 . . . . 0.0 109.526 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -113.4 175.5 1.83 Allowed Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 121.201 -0.937 . . . . 0.0 109.408 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 10.9 Cg_endo -87.51 139.85 5.09 Favored 'Trans proline' 0 N--CA 1.476 0.495 0 C-N-CA 125.292 3.995 . . . . 0.0 109.794 179.598 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t70 66.99 2.35 2.67 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.367 -0.833 . . . . 0.0 109.402 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.07 121.51 16.28 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 121.173 -0.954 . . . . 0.0 109.003 179.662 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -141.52 78.98 17.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 O-C-N 121.159 -0.963 . . . . 0.0 109.787 -179.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -31.94 150.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.484 0.918 1 C-N-CA 125.974 4.449 . . . . 0.0 110.88 179.69 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 5' ' ' HIS . 33.4 mt -115.97 -26.23 7.39 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.224 -0.922 . . . . 0.0 109.87 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.421 ' CZ ' HD23 ' A' ' 31' ' ' LEU . 91.2 m-85 -127.66 -14.13 5.22 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.078 -1.014 . . . . 0.0 109.68 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 166.88 -47.94 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.07 12.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.4 ' O ' ' CG ' ' A' ' 91' ' ' PHE . 2.4 pt -94.42 10.5 4.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 O-C-N 121.224 -1.162 . . . . 0.0 109.461 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 90' ' ' ILE . 70.9 m-85 -154.67 44.97 0.52 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.279 -0.888 . . . . 0.0 109.562 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.95 77.18 5.42 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.086 -1.009 . . . . 0.0 109.288 179.799 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.329 -0.3 0 O-C-N 121.227 -0.921 . . . . 0.0 109.66 -179.954 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.33 139.55 32.97 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.187 -0.946 . . . . 0.0 109.496 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.73 132.31 51.12 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.293 -0.88 . . . . 0.0 109.474 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -87.43 98.47 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 121.298 -0.876 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.68 13.22 5.14 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.229 -0.919 . . . . 0.0 109.39 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.477 ' HZ3' ' CZ ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -100.54 123.89 45.36 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.29 -0.881 . . . . 0.0 109.389 179.885 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -117.42 119.32 34.72 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 169.09 17.88 Favored Pre-proline 0 CA--C 1.532 0.268 0 O-C-N 121.256 -0.903 . . . . 0.0 109.205 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -90.41 163.48 4.47 Favored 'Trans proline' 0 N--CA 1.479 0.634 1 C-N-CA 125.388 4.059 . . . . 0.0 110.575 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -56.02 175.94 0.09 Allowed 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.301 -0.875 . . . . 0.0 109.275 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 55.22 28.95 11.9 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 121.25 -0.906 . . . . 0.0 108.851 -179.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -162.27 155.57 20.48 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.366 -0.834 . . . . 0.0 109.465 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.06 153.71 19.93 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.58 140.93 50.01 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.234 -1.156 . . . . 0.0 109.574 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.476 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 1.8 t80 -146.64 48.85 1.16 Allowed 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.252 -0.905 . . . . 0.0 109.569 -179.738 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.537 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 10.2 ttm180 -90.77 92.21 8.7 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.494 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.476 ' NE2' ' CZ ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -160.07 -164.11 1.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 120.808 -1.182 . . . . 0.0 109.691 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.429 ' HG ' ' CG ' ' A' ' 21' ' ' HIS . 1.7 mt 72.64 -52.75 0.7 Allowed 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -178.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.34 18.53 12.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.61 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 68.24 -0.45 2.16 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.497 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.91 104.35 2.29 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.114 -0.991 . . . . 0.0 109.113 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -128.75 -103.68 0.31 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.97 -1.081 . . . . 0.0 109.367 179.305 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 175.57 177.61 0.19 Allowed 'General case' 0 N--CA 1.465 0.285 0 O-C-N 120.78 -1.2 . . . . 0.0 110.083 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 m -96.7 132.27 42.54 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.342 -0.849 . . . . 0.0 109.478 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.33 139.03 45.94 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.515 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -54.17 152.05 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.225 -0.922 . . . . 0.0 109.693 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.7 mt -60.2 -164.86 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.264 -0.898 . . . . 0.0 109.914 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.63 163.51 27.25 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.243 -0.911 . . . . 0.0 109.702 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.7 m120 56.87 17.79 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.416 -0.802 . . . . 0.0 109.593 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.77 177.11 5.61 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.243 -0.911 . . . . 0.0 109.324 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -160.95 -175.4 4.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.4 142.09 45.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.359 -0.838 . . . . 0.0 109.682 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -153.4 64.82 0.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.326 -0.859 . . . . 0.0 109.355 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.4 -103.62 1.99 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -125.91 2.19 7.34 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.238 -1.154 . . . . 0.0 109.331 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.49 140.31 48.31 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.331 -0.856 . . . . 0.0 108.988 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.3 m -78.26 144.22 36.37 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.065 -1.022 . . . . 0.0 109.395 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.7 m -121.58 175.57 4.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 O-C-N 121.196 -0.94 . . . . 0.0 109.79 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.85 137.46 57.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.291 -0.881 . . . . 0.0 109.655 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -106.6 115.28 60.89 Favored Pre-proline 0 CA--C 1.536 0.429 0 O-C-N 121.329 -0.857 . . . . 0.0 109.485 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -89.33 -15.52 2.34 Favored 'Trans proline' 0 N--CA 1.479 0.63 0 C-N-CA 124.739 3.626 . . . . 0.0 110.168 179.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.28 84.53 35.34 Favored Pre-proline 0 C--N 1.331 -0.225 0 O-C-N 121.344 -0.847 . . . . 0.0 109.234 179.869 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -90.83 132.39 1.61 Allowed 'Trans proline' 0 N--CA 1.476 0.492 1 C-N-CA 125.661 4.241 . . . . 0.0 110.664 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.403 ' CG2' ' HG2' ' A' ' 51' ' ' GLU . 14.2 t -141.25 -158.94 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.336 -0.852 . . . . 0.0 109.256 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.415 ' C ' ' H ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -122.86 -26.36 4.45 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.61 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -70.84 2.5 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.265 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 49' ' ' CYS . 10.5 pt-20 -100.35 48.14 0.92 Allowed 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.428 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p30 43.08 73.57 0.14 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.421 0.629 . . . . 0.0 109.72 -178.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.438 HD21 ' C ' ' A' ' 56' ' ' CYS . 0.3 OUTLIER 63.5 90.28 0.08 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 122.653 1.216 . . . . 0.0 108.587 -179.379 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.54 37.78 3.47 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 107.709 -2.157 . . . . 0.0 107.709 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.26 -14.87 6.17 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.765 -2.134 . . . . 0.0 107.765 -178.585 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.438 ' C ' HD21 ' A' ' 53' ' ' ASN . 56.9 m -112.08 132.41 54.85 Favored 'General case' 0 N--CA 1.461 0.112 0 O-C-N 121.365 -1.079 . . . . 0.0 108.585 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.71 135.99 3.64 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.298 0.571 . . . . 0.0 110.298 -179.08 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.5 -34.08 56.76 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.458 -0.776 . . . . 0.0 109.741 -179.496 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.5 5.89 50.05 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.219 -0.926 . . . . 0.0 109.541 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -102.0 172.32 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.142 -0.974 . . . . 0.0 109.933 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HZ1' HG21 ' A' ' 63' ' ' THR . 0.0 OUTLIER -94.79 136.88 34.57 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.455 -0.778 . . . . 0.0 108.913 179.52 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.6 t -112.7 136.97 51.67 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.286 -0.884 . . . . 0.0 109.473 -179.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.464 HG21 ' HZ1' ' A' ' 61' ' ' LYS . 1.3 p -123.78 140.18 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.215 -0.928 . . . . 0.0 109.447 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.93 -19.05 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.322 -0.861 . . . . 0.0 109.398 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.33 -0.26 0 O-C-N 121.281 -0.887 . . . . 0.0 109.509 -179.955 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 mttt . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 124.55 49.72 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.232 -0.918 . . . . 0.0 109.431 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mm -117.33 106.8 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.265 -0.897 . . . . 0.0 109.353 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.03 157.07 17.98 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.209 -0.932 . . . . 0.0 109.542 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.0 m -136.98 152.31 50.0 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.254 -0.904 . . . . 0.0 109.364 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -165.96 109.92 0.81 Allowed 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.251 -0.906 . . . . 0.0 109.37 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' A' ' 80' ' ' LYS . 31.9 m -61.14 117.06 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.191 -0.943 . . . . 0.0 109.58 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.4 t -78.2 43.95 0.47 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.244 -0.91 . . . . 0.0 109.116 179.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 78' ' ' CYS . 1.9 mtmp? -122.28 169.7 9.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 O-C-N 121.359 -0.838 . . . . 0.0 109.319 -179.748 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -82.13 -35.04 0.39 Allowed 'Trans proline' 0 N--CA 1.479 0.642 0 C-N-CA 124.989 3.793 . . . . 0.0 109.598 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -90.78 19.56 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.5 p -55.07 98.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.623 -0.673 . . . . 0.0 109.612 -179.725 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -127.04 71.53 75.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 O-C-N 121.314 -0.866 . . . . 0.0 109.178 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -30.05 148.18 0.02 OUTLIER 'Trans proline' 0 N--CA 1.482 0.816 1 C-N-CA 126.206 4.604 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 mt -102.47 -30.39 11.03 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.257 -0.902 . . . . 0.0 109.66 -179.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -130.85 -18.75 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.098 -1.001 . . . . 0.0 109.709 -179.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 169.07 -40.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.754 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.97 23.59 0.02 OUTLIER Glycine 0 CA--C 1.528 0.902 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.446 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 24.8 pt -96.4 -33.22 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 O-C-N 121.151 -1.205 . . . . 0.0 109.108 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 21.4 m-85 -136.51 120.28 17.35 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.39 -0.819 . . . . 0.0 109.383 179.755 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -164.84 0.89 Allowed 'General case' 0 N--CA 1.464 0.249 0 O-C-N 120.991 -1.068 . . . . 0.0 109.376 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.239 0 O-C-N 121.381 -0.825 . . . . 0.0 109.436 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 93' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -92.05 4.0 54.05 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.296 -0.877 . . . . 0.0 109.363 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.3 m 55.92 -173.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.242 -0.911 . . . . 0.0 109.556 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.408 HG11 ' H ' ' A' ' 9' ' ' LYS . 13.4 p -153.85 -38.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 O-C-N 121.317 -0.864 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.408 ' H ' HG11 ' A' ' 8' ' ' VAL . 2.1 ttpm? -101.57 -31.87 10.64 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.293 -0.879 . . . . 0.0 109.392 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HZ2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -55.39 166.32 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.335 -0.853 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -155.03 56.53 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.295 -0.878 . . . . 0.0 109.564 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 m -54.8 170.92 0.32 Allowed Pre-proline 0 CA--C 1.533 0.297 0 O-C-N 121.261 -0.9 . . . . 0.0 109.338 179.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -88.71 161.39 6.33 Favored 'Trans proline' 0 N--CA 1.479 0.62 1 C-N-CA 125.334 4.023 . . . . 0.0 110.335 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -54.64 174.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.281 -0.887 . . . . 0.0 109.526 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.421 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 20.1 m-20 55.82 25.96 9.05 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.2 -0.937 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 t -163.56 120.9 1.82 Allowed 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.254 -0.903 . . . . 0.0 109.714 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.421 ' HA3' ' CZ ' ' A' ' 91' ' ' PHE . . . -94.5 170.49 29.8 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.93 159.4 16.06 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.237 -1.155 . . . . 0.0 109.703 -179.789 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.445 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER -139.42 116.27 10.87 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.212 -0.93 . . . . 0.0 108.78 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.96 81.59 1.69 Allowed 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.107 -0.996 . . . . 0.0 109.795 -179.622 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.456 ' CD2' ' N ' ' A' ' 21' ' ' HIS . 1.2 p80 -179.68 -48.81 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.182 -0.949 . . . . 0.0 110.274 179.496 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.424 HD13 ' CE1' ' A' ' 21' ' ' HIS . 12.7 mt -76.79 1.61 16.82 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.073 -1.017 . . . . 0.0 109.906 -179.432 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.52 6.24 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.29 -0.881 . . . . 0.0 108.904 179.785 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 54.1 20.08 2.37 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.46 -0.775 . . . . 0.0 109.481 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -133.57 146.15 50.73 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.288 -0.883 . . . . 0.0 109.295 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.496 ' CB ' ' HZ2' ' A' ' 10' ' ' LYS . 7.3 mt-10 -92.34 125.32 36.95 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.286 -0.884 . . . . 0.0 109.423 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -136.97 162.84 32.19 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.304 -0.872 . . . . 0.0 109.529 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.8 m -119.27 97.79 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.324 -0.86 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.36 133.72 42.37 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.249 -0.907 . . . . 0.0 108.991 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.1 158.74 10.66 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.107 -0.995 . . . . 0.0 109.364 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.418 HD12 ' CE1' ' A' ' 87' ' ' PHE . 92.2 mt -79.86 -168.41 1.6 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.205 -0.935 . . . . 0.0 109.593 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.0 mt -68.44 157.69 35.3 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.289 -0.882 . . . . 0.0 109.398 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 59.4 15.37 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.26 -0.9 . . . . 0.0 109.47 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 19.3 m-85 -132.0 118.59 19.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.382 -0.824 . . . . 0.0 109.491 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -97.42 -173.69 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -120.49 121.72 39.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.502 -0.749 . . . . 0.0 109.61 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.79 97.56 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.334 -0.854 . . . . 0.0 109.297 179.72 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.37 -98.1 1.62 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -134.13 8.4 3.74 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.227 -1.16 . . . . 0.0 109.267 179.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.37 122.05 25.69 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.31 -0.869 . . . . 0.0 109.338 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.88 143.09 52.9 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.123 -0.986 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.9 m -123.81 178.37 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 O-C-N 121.124 -0.985 . . . . 0.0 109.494 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.09 134.1 42.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.234 -0.916 . . . . 0.0 109.38 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.447 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.7 t-20 -109.43 128.39 25.49 Favored Pre-proline 0 CA--C 1.536 0.418 0 O-C-N 121.331 -0.856 . . . . 0.0 109.362 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.5 Cg_endo -90.73 -15.99 1.63 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.662 3.575 . . . . 0.0 110.041 179.662 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -148.99 85.88 5.84 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 121.32 -0.862 . . . . 0.0 109.453 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -89.76 160.05 5.14 Favored 'Trans proline' 0 N--CA 1.477 0.539 1 C-N-CA 125.487 4.125 . . . . 0.0 110.102 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.439 ' HG1' ' H ' ' A' ' 49' ' ' CYS . 9.6 t -152.21 -168.25 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.13 -0.981 . . . . 0.0 109.825 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.439 ' H ' ' HG1' ' A' ' 48' ' ' THR . 17.7 m -104.2 -20.63 13.74 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.284 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -62.0 -13.1 22.56 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.425 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 2.0 mt-10 -75.13 52.07 0.56 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.18 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 p30 42.03 59.91 2.43 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.299 0.571 . . . . 0.0 109.909 -178.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.436 HD21 ' C ' ' A' ' 57' ' ' ASP . 6.6 t30 67.0 55.89 0.69 Allowed 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -179.48 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.11 -49.7 15.27 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.9 -13.07 78.59 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.17 151.57 28.05 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.051 -1.264 . . . . 0.0 110.563 -179.507 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.2 OUTLIER -57.62 -94.3 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 O-C-N 121.374 -0.829 . . . . 0.0 109.722 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.81 -27.29 0.49 Allowed 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.08 -13.83 10.56 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.174 -0.954 . . . . 0.0 109.607 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.79 139.19 53.2 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.165 -0.96 . . . . 0.0 109.38 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -69.51 132.25 45.99 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.132 -0.98 . . . . 0.0 109.6 -179.821 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.16 161.02 14.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.494 -0.754 . . . . 0.0 109.327 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.78 173.85 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.269 -0.894 . . . . 0.0 109.402 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -145.52 42.93 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.239 -0.913 . . . . 0.0 109.324 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 . . . . . 0 C--N 1.33 -0.276 0 O-C-N 121.29 -0.881 . . . . 0.0 109.506 -179.992 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -147.79 155.1 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.292 -0.88 . . . . 0.0 109.558 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -140.9 149.51 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 O-C-N 121.314 -0.867 . . . . 0.0 109.164 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.38 154.05 49.01 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.181 -0.949 . . . . 0.0 109.624 -179.774 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -160.61 134.53 7.04 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.234 -0.916 . . . . 0.0 109.547 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -144.88 138.98 27.35 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.313 -0.867 . . . . 0.0 109.125 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.02 126.34 35.38 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.183 -0.948 . . . . 0.0 109.246 -179.821 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 t -82.67 17.18 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.287 -0.883 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -89.23 169.05 13.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 O-C-N 121.299 -0.876 . . . . 0.0 109.28 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.405 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 10.1 Cg_endo -84.95 127.86 3.62 Favored 'Trans proline' 0 N--CA 1.477 0.55 0 C-N-CA 124.868 3.712 . . . . 0.0 109.275 179.323 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER 72.81 -52.71 0.71 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.881 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.3 OUTLIER 61.08 158.87 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.468 -0.77 . . . . 0.0 110.092 179.264 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 83' ' ' SER . 54.7 m-85 -151.31 99.44 3.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 O-C-N 121.389 -0.819 . . . . 0.0 108.841 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -87.29 163.94 8.34 Favored 'Trans proline' 0 N--CA 1.478 0.594 0 C-N-CA 125.189 3.926 . . . . 0.0 110.464 -179.455 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.6 mt -125.66 -13.09 6.54 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.292 -0.88 . . . . 0.0 109.599 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.418 ' CE1' HD12 ' A' ' 31' ' ' LEU . 98.8 m-85 -146.45 -13.67 0.45 Allowed 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.135 -0.978 . . . . 0.0 109.802 -179.707 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 166.64 -50.43 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 178.43 5.97 0.02 OUTLIER Glycine 0 CA--C 1.529 0.939 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.88 2.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 O-C-N 121.348 -1.089 . . . . 0.0 109.32 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.421 ' CZ ' ' HA3' ' A' ' 17' ' ' GLY . 37.1 m-85 -141.76 49.12 1.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.161 -0.962 . . . . 0.0 109.456 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.42 -171.05 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.133 -0.98 . . . . 0.0 109.92 -179.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.41 ' HB2' ' CD2' ' A' ' 5' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.222 0 O-C-N 121.328 -0.857 . . . . 0.0 109.164 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.461 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.244 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -55.22 -72.05 0.07 Allowed 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.232 -0.918 . . . . 0.0 109.158 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 p 175.4 -102.77 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.04 -1.038 . . . . 0.0 109.199 179.59 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.7 t -145.25 -77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 O-C-N 121.045 -1.034 . . . . 0.0 109.442 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -155.97 -3.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -63.57 129.62 40.95 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.194 -0.941 . . . . 0.0 109.289 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -97.9 116.51 30.26 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.268 -0.895 . . . . 0.0 109.583 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -95.87 174.69 3.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.25 -0.906 . . . . 0.0 109.272 179.785 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -89.44 163.62 5.44 Favored 'Trans proline' 0 N--CA 1.477 0.5 1 C-N-CA 125.53 4.153 . . . . 0.0 110.336 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -54.78 174.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.305 -0.872 . . . . 0.0 109.422 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 m120 58.63 16.7 4.5 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.206 -0.934 . . . . 0.0 109.304 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.9 t -168.3 121.8 0.88 Allowed 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.126 -0.984 . . . . 0.0 110.136 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.17 -148.97 16.76 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.267 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -142.2 143.52 32.97 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.004 -1.292 . . . . 0.0 109.827 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.461 ' CZ ' ' CD2' ' A' ' 5' ' ' HIS . 24.5 t80 -148.67 168.61 22.4 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 121.061 -1.024 . . . . 0.0 109.758 179.061 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.515 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 8.0 mtp180 -114.93 121.18 42.39 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 178.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.494 ' H ' ' HB2' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -77.03 39.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 120.535 -1.353 . . . . 0.0 109.375 -179.637 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' A' ' 20' ' ' ARG . 2.2 mt 66.81 2.65 2.7 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.833 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 21' ' ' HIS . 13.6 p-10 -96.4 35.5 1.47 Allowed 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.736 -0.602 . . . . 0.0 109.617 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 71.09 -38.4 0.42 Allowed 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.5 -0.75 . . . . 0.0 110.782 179.553 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . 2.8 mtt180 -162.97 113.11 1.4 Allowed 'General case' 0 C--N 1.333 -0.143 0 O-C-N 120.786 -1.196 . . . . 0.0 110.607 -179.693 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' HB2' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -91.97 -89.55 0.18 Allowed 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.048 -1.033 . . . . 0.0 109.852 179.312 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' GLU . 1.6 mt-10 166.35 -174.02 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 -179.681 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.3 m -77.41 113.58 15.35 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.431 -0.793 . . . . 0.0 109.211 179.609 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -105.35 140.75 38.01 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.217 -0.927 . . . . 0.0 108.988 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.78 161.04 8.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.076 -1.015 . . . . 0.0 109.555 -179.755 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.402 ' CD2' ' CD1' ' A' ' 90' ' ' ILE . 20.5 mt -78.7 -166.05 0.82 Allowed 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.196 -0.94 . . . . 0.0 109.653 -179.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.6 156.65 39.16 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.258 -0.901 . . . . 0.0 109.678 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 57.73 16.43 3.5 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.362 -0.836 . . . . 0.0 109.5 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -129.52 117.79 21.04 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.405 -0.809 . . . . 0.0 109.135 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -97.88 -175.1 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.257 -0.902 . . . . 0.0 109.339 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -127.47 132.63 49.98 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.553 -0.717 . . . . 0.0 109.445 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -139.28 74.01 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.281 -0.887 . . . . 0.0 109.389 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.58 -99.38 1.29 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -133.48 6.83 3.82 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.276 -1.132 . . . . 0.0 109.344 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -134.19 127.15 31.38 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.371 -0.83 . . . . 0.0 109.35 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.3 m -79.07 144.13 34.9 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.2 -0.937 . . . . 0.0 109.392 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.5 m -121.43 179.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.203 -0.936 . . . . 0.0 109.426 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.51 122.98 22.22 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.232 -0.918 . . . . 0.0 109.689 -179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.411 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 14.4 t-20 -100.54 115.73 65.07 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 121.347 -0.846 . . . . 0.0 109.138 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 12.1 Cg_endo -89.08 -14.74 2.66 Favored 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 124.791 3.661 . . . . 0.0 110.36 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -131.11 89.15 42.89 Favored Pre-proline 0 CA--C 1.532 0.278 0 O-C-N 121.189 -0.944 . . . . 0.0 109.697 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -90.71 161.38 4.2 Favored 'Trans proline' 0 N--CA 1.478 0.568 1 C-N-CA 125.488 4.126 . . . . 0.0 109.792 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.412 ' CG2' ' CG ' ' A' ' 51' ' ' GLU . 14.4 t -140.93 -154.6 0.53 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.013 -1.055 . . . . 0.0 110.272 -179.498 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.4 m -152.92 -44.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.598 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -62.91 -8.47 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.408 -0.808 . . . . 0.0 109.437 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 42.3 mm-40 -83.55 56.57 3.66 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.143 -0.973 . . . . 0.0 108.722 179.49 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.3 p30 41.33 62.57 1.46 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.036 0.446 . . . . 0.0 110.512 -179.428 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.88 86.44 0.13 Allowed 'General case' 0 N--CA 1.464 0.232 0 O-C-N 121.557 -0.714 . . . . 0.0 109.8 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.44 -22.81 32.48 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 108.451 -1.86 . . . . 0.0 108.451 178.537 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 160.66 11.0 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 107.546 -2.222 . . . . 0.0 107.546 -179.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.533 ' O ' ' O ' ' A' ' 57' ' ' ASP . 9.0 m -98.02 66.03 1.81 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 118.84 -1.144 . . . . 0.0 110.253 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.533 ' O ' ' O ' ' A' ' 56' ' ' CYS . 2.0 t0 39.12 119.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 122.335 1.064 . . . . 0.0 112.844 179.591 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.63 -17.69 0.56 Allowed 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.821 -1.175 . . . . 0.0 110.308 178.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -104.71 -17.69 14.55 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 120.983 -1.073 . . . . 0.0 109.632 179.536 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.47 ' H ' ' HB3' ' A' ' 57' ' ' ASP . . . -83.61 141.65 31.39 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 121.125 -0.985 . . . . 0.0 109.378 179.787 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -72.04 126.39 29.66 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.241 -0.912 . . . . 0.0 109.412 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -86.55 140.7 29.64 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.195 -0.941 . . . . 0.0 109.375 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.1 142.21 40.21 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.222 -0.923 . . . . 0.0 109.634 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.22 13.17 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.274 -0.891 . . . . 0.0 109.496 -179.893 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 C--N 1.331 -0.226 0 O-C-N 121.359 -0.838 . . . . 0.0 109.619 -179.868 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.213 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.72 138.08 40.85 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.207 -0.933 . . . . 0.0 109.509 -179.898 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 mm -122.77 141.62 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 121.239 -0.913 . . . . 0.0 109.403 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 m -148.58 150.17 32.85 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.165 -0.959 . . . . 0.0 109.631 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.8 m -107.47 158.53 17.13 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.306 -0.872 . . . . 0.0 109.239 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -150.03 94.4 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.226 -0.921 . . . . 0.0 109.451 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.8 m -66.78 112.21 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.262 -0.898 . . . . 0.0 109.507 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.4 t -80.45 44.2 0.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.263 -0.898 . . . . 0.0 109.509 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -126.15 168.24 14.71 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.256 -0.903 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -85.01 -42.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.479 0.63 0 C-N-CA 125.063 3.842 . . . . 0.0 109.902 179.841 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.02 18.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.341 -0.85 . . . . 0.0 108.941 179.535 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.0 p -62.01 109.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.353 -0.842 . . . . 0.0 109.663 -179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -135.07 70.49 69.72 Favored Pre-proline 0 C--N 1.327 -0.384 0 O-C-N 121.375 -0.828 . . . . 0.0 109.213 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -30.84 112.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.481 0.771 1 C-N-CA 126.199 4.599 . . . . 0.0 111.093 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.11 -19.98 59.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.252 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -133.13 -107.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.536 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.48 29.77 7.78 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.584 -0.697 . . . . 0.0 109.963 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.65 -16.24 40.69 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 119.616 -1.278 . . . . 0.0 110.343 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.44 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 14.6 pt -55.0 -34.66 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 121.127 -1.22 . . . . 0.0 109.374 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.44 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 20.2 m-85 -135.74 125.36 25.28 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.317 -0.864 . . . . 0.0 109.502 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -109.86 137.43 47.67 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.323 -0.86 . . . . 0.0 109.363 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 O-C-N 121.204 -0.935 . . . . 0.0 109.687 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -11.87 17.32 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.31 -0.869 . . . . 0.0 109.284 179.813 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.71 151.14 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.451 -0.781 . . . . 0.0 109.517 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.505 ' CG1' ' H ' ' A' ' 9' ' ' LYS . 2.0 t -60.87 -159.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 121.29 -0.881 . . . . 0.0 110.518 -178.78 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.505 ' H ' ' CG1' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -80.33 60.9 3.93 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.169 -0.957 . . . . 0.0 109.347 -179.818 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' HZ2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -66.54 -144.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.418 -0.801 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.72 101.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.142 -0.974 . . . . 0.0 109.658 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.2 m -117.35 170.82 5.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 121.255 -0.903 . . . . 0.0 109.079 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -88.9 165.28 5.95 Favored 'Trans proline' 0 N--CA 1.478 0.59 1 C-N-CA 125.433 4.089 . . . . 0.0 110.466 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -54.71 168.99 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.241 -0.912 . . . . 0.0 109.439 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.5 m120 55.15 34.79 23.38 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.289 -0.882 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -167.15 120.21 0.96 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.268 -0.895 . . . . 0.0 109.669 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.6 173.51 26.02 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.56 161.33 24.83 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.357 -1.084 . . . . 0.0 109.712 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 10.0 t80 -170.22 107.28 0.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.267 -0.896 . . . . 0.0 109.333 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 20.5 ttp85 -105.93 81.03 1.6 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.198 -0.939 . . . . 0.0 109.559 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.411 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 88.8 m-70 -154.31 -177.16 6.26 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.201 -0.937 . . . . 0.0 110.138 -179.885 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.1 mt 71.5 -47.18 0.66 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.066 0.46 . . . . 0.0 110.158 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.45 14.88 13.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.285 -0.885 . . . . 0.0 108.645 179.703 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 55.23 19.66 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.476 -0.765 . . . . 0.0 109.222 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.45 HH11 ' HB3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -128.7 160.31 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.332 -0.855 . . . . 0.0 108.972 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.505 ' CB ' ' HZ2' ' A' ' 10' ' ' LYS . 43.0 mt-10 -75.04 143.68 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.205 -0.934 . . . . 0.0 109.815 -179.654 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -152.91 162.25 41.53 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.298 -0.876 . . . . 0.0 109.117 179.769 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.8 m -112.2 112.56 24.25 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.15 -0.969 . . . . 0.0 109.479 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -104.24 139.59 39.04 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 m -57.99 165.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 120.91 -1.119 . . . . 0.0 109.72 -179.399 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.1 mt -76.92 -165.27 0.53 Allowed 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.282 -0.886 . . . . 0.0 109.921 -179.441 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.17 154.94 41.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.313 -0.867 . . . . 0.0 109.629 -179.802 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 56.05 18.78 3.32 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.226 -0.921 . . . . 0.0 109.53 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -126.2 117.42 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.244 -0.91 . . . . 0.0 109.316 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.32 -174.66 2.6 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.269 -0.894 . . . . 0.0 109.312 179.786 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -103.93 140.42 37.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.584 -0.697 . . . . 0.0 109.514 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -151.88 102.9 2.87 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.194 -0.941 . . . . 0.0 109.347 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.8 -95.46 0.91 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.34 -3.15 2.18 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.312 -1.111 . . . . 0.0 109.444 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.69 134.95 49.59 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.229 -0.92 . . . . 0.0 109.007 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.3 m -69.96 140.25 52.97 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.12 -0.987 . . . . 0.0 109.362 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.2 m -111.43 175.37 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 O-C-N 121.154 -0.966 . . . . 0.0 109.807 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.29 134.48 34.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.566 -0.709 . . . . 0.0 109.709 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.4 HD22 ' C ' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -122.14 120.04 28.44 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 121.297 -0.877 . . . . 0.0 109.251 179.786 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -89.31 -16.53 2.1 Favored 'Trans proline' 0 N--CA 1.478 0.616 0 C-N-CA 124.698 3.599 . . . . 0.0 110.201 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' C ' HD22 ' A' ' 44' ' ' ASN . 1.6 p30 -127.36 85.93 59.79 Favored Pre-proline 0 CA--C 1.531 0.238 0 O-C-N 121.25 -0.906 . . . . 0.0 109.296 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -88.88 173.96 4.03 Favored 'Trans proline' 0 N--CA 1.478 0.562 1 C-N-CA 125.352 4.035 . . . . 0.0 110.23 -179.846 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.435 ' CG2' ' CG ' ' A' ' 51' ' ' GLU . 10.1 t -151.57 -134.31 0.06 Allowed 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.157 -0.964 . . . . 0.0 109.863 -179.774 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.425 ' C ' ' H ' ' A' ' 51' ' ' GLU . 13.3 m -145.38 -42.95 0.22 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.345 -0.847 . . . . 0.0 108.872 -179.672 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -65.83 -0.55 2.29 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.562 -0.711 . . . . 0.0 109.523 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 72.5 mm-40 -95.7 56.96 1.82 Allowed 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.206 -0.934 . . . . 0.0 108.693 179.542 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p30 41.39 69.48 0.34 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.183 0.516 . . . . 0.0 110.651 -179.452 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 3.4 t-20 59.98 87.49 0.08 Allowed 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.322 -0.862 . . . . 0.0 108.931 179.785 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -88.04 39.17 3.12 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 107.962 -2.055 . . . . 0.0 107.962 178.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.51 -15.2 6.06 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 107.851 -2.1 . . . . 0.0 107.851 -178.848 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ASP . 35.1 m -111.29 113.63 26.24 Favored 'General case' 0 N--CA 1.463 0.175 0 O-C-N 121.534 -0.98 . . . . 0.0 108.985 179.308 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' CYS . 33.4 t0 -29.48 138.83 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.378 0.608 . . . . 0.0 111.894 -179.157 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.88 -29.61 42.36 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.52 -0.738 . . . . 0.0 109.114 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.62 -13.89 33.49 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.468 -0.77 . . . . 0.0 109.172 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.74 156.72 17.87 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 121.184 -0.948 . . . . 0.0 109.729 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CD ' ' H ' ' A' ' 62' ' ' CYS . 0.0 OUTLIER -79.05 167.9 20.42 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.35 -0.843 . . . . 0.0 109.517 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.439 ' H ' ' CD ' ' A' ' 61' ' ' LYS . 53.3 t -138.44 137.31 37.09 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.273 -0.892 . . . . 0.0 109.431 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -125.57 139.76 53.32 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.21 -0.931 . . . . 0.0 109.407 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.92 1.32 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.415 -0.803 . . . . 0.0 109.364 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 C--N 1.33 -0.271 0 O-C-N 121.451 -0.781 . . . . 0.0 109.723 -179.703 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -111.63 125.26 53.75 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.27 -0.894 . . . . 0.0 109.467 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.37 118.54 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 O-C-N 121.22 -0.925 . . . . 0.0 109.318 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.19 154.79 21.87 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.237 -0.914 . . . . 0.0 109.646 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.9 m -121.34 140.16 52.47 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.289 -0.882 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -140.19 107.28 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.155 -0.966 . . . . 0.0 109.51 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.4 ' C ' ' H ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -78.03 104.5 8.63 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.264 -0.898 . . . . 0.0 109.242 179.842 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -76.12 44.76 0.33 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.258 -0.901 . . . . 0.0 109.566 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 78' ' ' CYS . 6.2 mmtm -121.81 168.69 10.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.208 -0.932 . . . . 0.0 109.237 179.894 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.409 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 11.2 Cg_endo -87.11 -46.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 125.167 3.912 . . . . 0.0 109.844 179.813 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.409 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 66.3 m-20 -82.88 19.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.387 -0.821 . . . . 0.0 108.79 179.384 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 t -56.6 110.79 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.532 -0.73 . . . . 0.0 109.45 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -141.59 70.17 25.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 O-C-N 121.321 -0.862 . . . . 0.0 109.21 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -31.08 122.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.766 1 C-N-CA 126.168 4.578 . . . . 0.0 111.078 -179.879 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.1 mt -79.75 -2.88 45.09 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.215 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.402 ' CD2' HD13 ' A' ' 90' ' ' ILE . 82.4 m-85 -151.93 -110.92 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.01 24.35 13.13 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.675 179.54 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.93 55.14 0.79 Allowed Glycine 0 CA--C 1.53 1.003 0 C-N-CA 119.707 -1.235 . . . . 0.0 110.208 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.402 HD13 ' CD2' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -128.0 -18.56 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 O-C-N 121.131 -1.217 . . . . 0.0 109.221 179.339 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.497 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 32.1 m-85 -137.66 57.6 1.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.325 -0.859 . . . . 0.0 109.508 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.0 m -62.03 -164.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.148 -0.97 . . . . 0.0 109.393 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 O-C-N 121.22 -0.925 . . . . 0.0 109.352 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.469 ' HB3' ' HG ' ' A' ' 93' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 121.068 0.461 . . . . 0.0 109.98 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.92 89.61 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.036 -1.04 . . . . 0.0 109.579 179.792 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.5 m -80.06 164.46 23.38 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.308 -0.87 . . . . 0.0 109.384 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.48 -126.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 O-C-N 121.173 -0.954 . . . . 0.0 109.434 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -69.6 -88.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.167 -0.958 . . . . 0.0 109.329 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HB3' ' HZ1' ' A' ' 10' ' ' LYS . 1.1 mtmp? 57.35 -166.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.232 -0.917 . . . . 0.0 109.399 179.877 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -154.14 76.84 1.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.167 -0.958 . . . . 0.0 109.523 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.3 m -89.77 116.1 65.52 Favored Pre-proline 0 CA--C 1.538 0.494 0 O-C-N 121.236 -0.915 . . . . 0.0 109.28 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -87.13 177.43 3.93 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 124.433 3.422 . . . . 0.0 110.453 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.75 177.15 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.254 -0.904 . . . . 0.0 109.552 -179.877 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 56.8 19.06 4.16 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.278 -0.889 . . . . 0.0 109.404 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t -173.58 128.18 0.42 Allowed 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.211 -0.931 . . . . 0.0 109.449 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.06 163.32 12.92 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.32 161.69 30.2 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.291 -1.123 . . . . 0.0 109.669 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -167.28 116.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.28 -0.887 . . . . 0.0 109.328 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' H ' ' HA ' ' A' ' 5' ' ' HIS . 1.3 ttt180 -68.26 113.37 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.297 -0.877 . . . . 0.0 109.048 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.32 140.41 27.12 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.361 -0.837 . . . . 0.0 109.542 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.421 ' H ' ' CD1' ' A' ' 22' ' ' LEU . 6.4 mp -65.15 -5.02 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.347 -0.846 . . . . 0.0 109.498 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.75 32.95 2.68 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.224 -0.922 . . . . 0.0 109.306 179.722 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 63.09 24.84 14.67 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.22 -0.925 . . . . 0.0 109.55 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -112.8 176.5 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.21 -0.931 . . . . 0.0 109.11 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -136.47 123.12 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.21 -0.931 . . . . 0.0 109.474 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.27 161.92 41.85 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.291 -0.881 . . . . 0.0 109.507 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 m -102.35 115.21 30.08 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.312 -0.867 . . . . 0.0 109.359 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -93.3 139.85 30.19 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.177 -0.952 . . . . 0.0 108.927 179.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 m -56.14 163.49 1.57 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.133 -0.98 . . . . 0.0 109.421 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.419 HD21 ' CD2' ' A' ' 87' ' ' PHE . 69.4 mt -82.95 -169.16 2.37 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.25 156.89 38.64 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.205 -0.934 . . . . 0.0 109.453 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 m120 60.55 14.71 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.26 -0.9 . . . . 0.0 109.287 -179.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -129.74 117.28 20.04 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.474 -0.766 . . . . 0.0 109.285 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -170.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.326 -0.858 . . . . 0.0 109.349 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -109.45 142.78 39.97 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.657 -0.652 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -154.7 68.56 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.269 -0.895 . . . . 0.0 109.483 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.39 -111.34 3.68 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -119.73 8.72 11.23 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.291 -1.123 . . . . 0.0 109.481 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.81 133.64 27.24 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.295 -0.878 . . . . 0.0 109.212 179.799 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.3 m -70.62 138.04 50.46 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.147 -0.971 . . . . 0.0 109.396 -179.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -108.81 179.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 121.256 -0.902 . . . . 0.0 109.405 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -77.27 129.91 36.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.28 -0.887 . . . . 0.0 109.308 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.411 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 11.0 t-20 -94.31 113.04 59.84 Favored Pre-proline 0 CA--C 1.535 0.375 0 O-C-N 121.419 -0.8 . . . . 0.0 109.396 -179.845 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 11.8 Cg_endo -89.04 -15.4 2.5 Favored 'Trans proline' 0 N--CA 1.476 0.492 0 C-N-CA 124.852 3.701 . . . . 0.0 109.971 179.753 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -136.89 80.87 35.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 121.407 -0.808 . . . . 0.0 109.462 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -88.73 112.89 0.66 Allowed 'Trans proline' 0 N--CA 1.478 0.604 1 C-N-CA 125.422 4.082 . . . . 0.0 110.047 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.478 HG21 ' H ' ' A' ' 49' ' ' CYS . 53.1 m -103.51 164.5 11.62 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.275 -0.891 . . . . 0.0 109.696 -179.404 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.478 ' H ' HG21 ' A' ' 48' ' ' THR . 57.6 m -115.97 -35.66 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.303 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -66.38 -7.79 21.37 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.72 52.48 2.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.82 63.81 1.22 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.036 0.446 . . . . 0.0 111.173 -179.58 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.67 80.44 0.21 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.378 -0.826 . . . . 0.0 109.28 179.037 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.36 -55.88 24.54 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.49 15.81 0.85 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 108.576 -1.81 . . . . 0.0 108.576 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.67 171.17 14.92 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 118.024 -1.47 . . . . 0.0 108.767 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.37 130.91 48.37 Favored 'General case' 0 C--O 1.225 -0.214 0 O-C-N 120.834 -1.166 . . . . 0.0 108.246 179.787 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.73 -35.64 56.26 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.688 -0.632 . . . . 0.0 110.045 -179.037 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.35 0.37 54.12 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.061 -1.024 . . . . 0.0 109.477 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.62 -179.16 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.366 -0.834 . . . . 0.0 109.987 -179.653 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -116.4 123.4 47.47 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.382 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.6 t -79.42 136.65 37.01 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.268 -0.895 . . . . 0.0 109.217 -179.786 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.47 151.99 39.98 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.206 -0.934 . . . . 0.0 109.692 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -131.63 14.87 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.313 -0.867 . . . . 0.0 109.159 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 C--N 1.331 -0.224 0 O-C-N 121.365 -0.835 . . . . 0.0 109.682 -179.947 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 121.367 0.603 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -58.42 154.68 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.378 -0.826 . . . . 0.0 109.61 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 mm -130.44 136.41 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 O-C-N 121.371 -0.83 . . . . 0.0 109.206 -179.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.45 142.88 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.142 -0.974 . . . . 0.0 109.599 -179.855 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 57.4 m -96.7 160.01 14.61 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.282 -0.886 . . . . 0.0 109.409 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -143.6 101.04 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.346 -0.846 . . . . 0.0 109.108 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 125.85 29.97 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.25 -0.906 . . . . 0.0 109.109 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.51 -5.85 53.49 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.245 -0.91 . . . . 0.0 109.716 -179.687 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 169.16 13.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 121.213 -0.929 . . . . 0.0 109.402 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.445 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 14.3 Cg_endo -89.56 -49.18 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.621 1 C-N-CA 125.319 4.013 . . . . 0.0 110.238 179.846 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.445 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -83.77 21.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.329 -0.857 . . . . 0.0 109.082 179.787 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.29 121.12 16.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.492 -0.755 . . . . 0.0 109.421 -179.849 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -140.87 75.09 25.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 121.35 -0.844 . . . . 0.0 109.406 -179.692 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -30.67 115.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.482 0.832 1 C-N-CA 126.097 4.531 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.451 ' CD1' ' CD2' ' A' ' 5' ' ' HIS . 24.6 mt -75.47 -38.73 59.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.52 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.419 ' CD2' HD21 ' A' ' 31' ' ' LEU . 6.8 m-85 -105.7 -104.01 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -121.4 26.95 8.57 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 121.771 -0.581 . . . . 0.0 109.643 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.15 -18.65 13.96 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 119.674 -1.25 . . . . 0.0 110.241 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.453 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 1.7 pt -61.51 -20.97 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 O-C-N 120.928 -1.337 . . . . 0.0 109.457 -179.723 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.453 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 18.9 m-85 -138.96 92.69 2.62 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.108 -0.995 . . . . 0.0 109.627 179.814 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 25.0 m -83.17 63.18 7.03 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.068 -1.02 . . . . 0.0 109.399 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.469 ' HG ' ' HB3' ' A' ' 5' ' ' HIS . 26.8 t . . . . . 0 C--N 1.329 -0.288 0 O-C-N 121.197 -0.939 . . . . 0.0 109.544 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.421 ' CG ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.56 98.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.393 -0.817 . . . . 0.0 109.484 -179.836 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.4 m -72.23 152.48 42.18 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.327 -0.858 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.436 HG13 ' H ' ' A' ' 9' ' ' LYS . 11.2 t -78.06 -121.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.214 -0.929 . . . . 0.0 109.444 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.436 ' H ' HG13 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -76.66 58.42 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.256 -0.903 . . . . 0.0 109.488 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.95 -72.76 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.284 -0.885 . . . . 0.0 109.383 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 62.37 165.23 0.1 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.252 -0.905 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.12 158.86 0.69 Allowed Pre-proline 0 CA--C 1.534 0.35 0 O-C-N 121.117 -0.989 . . . . 0.0 109.648 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -31.1 152.41 0.02 OUTLIER 'Trans proline' 0 N--CA 1.483 0.87 1 C-N-CA 126.486 4.791 . . . . 0.0 111.739 -178.917 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.79 177.84 2.88 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 121.393 -0.817 . . . . 0.0 109.126 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m120 56.74 21.65 6.14 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -179.222 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.4 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 14.8 t -151.77 146.77 25.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.271 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.11 150.29 17.19 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.58 164.6 26.4 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.156 -1.203 . . . . 0.0 108.91 179.675 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 53.3 t80 -156.4 99.11 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.045 -1.035 . . . . 0.0 110.021 -179.36 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -72.13 -111.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.284 -0.885 . . . . 0.0 108.859 179.142 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.504 ' CD2' ' CE1' ' A' ' 19' ' ' PHE . 15.5 m-70 58.44 -153.77 0.37 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.436 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 1.0 OUTLIER 58.73 12.22 2.13 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.372 -0.83 . . . . 0.0 109.507 -179.852 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.9 -42.1 0.3 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -162.69 12.31 0.07 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 121.14 -0.975 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -112.19 116.66 30.81 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 120.864 -1.147 . . . . 0.0 109.73 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -113.76 151.87 31.37 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.311 -0.868 . . . . 0.0 109.516 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.71 164.14 38.8 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.193 -0.942 . . . . 0.0 109.865 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.45 108.31 19.51 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.474 -0.766 . . . . 0.0 108.981 179.783 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.15 136.88 48.69 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.281 -0.887 . . . . 0.0 109.23 -179.563 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 3.5 m -54.34 159.06 2.11 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.179 -0.95 . . . . 0.0 109.929 -179.507 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.8 mt -75.98 -164.77 0.4 Allowed 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.396 -0.815 . . . . 0.0 109.971 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.68 154.75 41.56 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 121.398 -0.814 . . . . 0.0 110.009 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 m120 59.72 12.52 2.98 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.479 -0.763 . . . . 0.0 109.924 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -126.28 121.34 32.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.299 -0.875 . . . . 0.0 109.403 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.24 -170.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.311 -0.868 . . . . 0.0 108.964 179.372 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -119.93 130.87 55.01 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.569 -0.707 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -145.16 114.89 7.29 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.241 -0.912 . . . . 0.0 109.551 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.57 -102.23 1.09 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.8 13.3 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.271 -1.135 . . . . 0.0 109.435 -179.829 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -143.32 133.91 25.01 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.235 -0.916 . . . . 0.0 109.355 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.96 151.79 45.2 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.156 -0.965 . . . . 0.0 109.17 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.1 m -129.17 168.92 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 121.274 -0.891 . . . . 0.0 109.607 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -69.38 116.04 9.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.139 -0.976 . . . . 0.0 109.438 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.583 HD21 ' H ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -79.85 123.72 83.65 Favored Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 121.268 -0.895 . . . . 0.0 109.335 -179.945 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.492 ' CD ' HD21 ' A' ' 44' ' ' ASN . 14.5 Cg_endo -90.28 -15.58 1.91 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 124.705 3.603 . . . . 0.0 110.1 179.688 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.583 ' H ' HD21 ' A' ' 44' ' ' ASN . 3.1 p30 -146.41 90.09 5.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 O-C-N 121.33 -0.856 . . . . 0.0 109.671 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -89.15 132.64 2.29 Favored 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 125.284 3.989 . . . . 0.0 109.675 179.594 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.414 ' CG2' ' CG ' ' A' ' 51' ' ' GLU . 7.5 t -112.22 -162.33 0.79 Allowed 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.223 -0.923 . . . . 0.0 110.166 -179.305 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 61.1 m -151.5 -35.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -68.31 -1.49 6.4 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 66.2 mm-40 -97.64 50.38 1.05 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.257 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 p30 41.6 72.79 0.15 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.715 -179.293 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 57' ' ' ASP . 10.8 t-20 70.66 81.6 0.16 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.755 0.788 . . . . 0.0 110.115 179.55 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.49 -58.07 16.49 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 178.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.34 12.73 2.77 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.538 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.417 ' C ' HD22 ' A' ' 53' ' ' ASN . 36.0 m -77.8 -164.64 0.53 Allowed 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.916 -1.344 . . . . 0.0 109.255 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.499 ' N ' HD22 ' A' ' 53' ' ' ASN . 60.6 t0 -54.26 -98.65 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.318 -0.864 . . . . 0.0 110.201 179.442 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -161.93 -47.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -100.67 -9.84 21.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.814 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.38 168.15 15.02 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.676 -0.64 . . . . 0.0 109.672 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -99.96 119.54 38.4 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.302 -0.874 . . . . 0.0 109.207 179.707 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.3 t -79.68 140.48 37.01 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.234 -0.916 . . . . 0.0 109.481 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.73 148.26 52.49 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.282 -0.886 . . . . 0.0 109.163 179.739 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -141.99 -0.22 1.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.153 -0.967 . . . . 0.0 109.677 -179.808 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 CA--C 1.531 0.231 0 O-C-N 121.08 -1.013 . . . . 0.0 109.503 -179.849 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 143.26 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.205 -0.934 . . . . 0.0 109.312 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mm -139.94 116.43 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 121.228 -0.92 . . . . 0.0 109.616 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.75 158.52 21.73 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.24 -0.913 . . . . 0.0 109.206 179.776 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 92.2 m -130.64 111.46 12.23 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.202 -0.936 . . . . 0.0 109.558 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.17 91.73 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.164 -0.96 . . . . 0.0 108.773 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.04 137.25 34.35 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.172 -0.955 . . . . 0.0 110.629 -178.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.9 m -125.81 81.97 2.03 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -136.69 170.43 10.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.088 -1.007 . . . . 0.0 109.604 -179.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -92.83 139.42 1.74 Allowed 'Trans proline' 0 N--CA 1.477 0.529 1 C-N-CA 125.597 4.198 . . . . 0.0 110.235 179.691 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.78 3.87 2.69 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.217 -0.927 . . . . 0.0 109.598 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.422 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 11.9 m -95.98 135.44 37.74 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 121.214 -0.929 . . . . 0.0 108.814 179.826 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 83' ' ' SER . 16.3 m-85 -150.13 145.83 19.31 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 121.242 -0.911 . . . . 0.0 108.913 -179.602 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -35.36 100.76 0.03 OUTLIER 'Trans proline' 0 N--CA 1.483 0.911 1 C-N-CA 125.496 4.131 . . . . 0.0 109.741 179.609 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.421 HD13 ' CG ' ' A' ' 5' ' ' HIS . 80.9 mt -88.46 -20.25 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.227 -0.921 . . . . 0.0 110.027 -179.017 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.431 ' CD2' ' CD1' ' A' ' 90' ' ' ILE . 96.5 m-85 -143.69 -42.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.031 -1.043 . . . . 0.0 110.241 -179.349 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.41 15.33 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.272 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 138.87 -21.56 3.01 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 119.214 -1.469 . . . . 0.0 111.02 179.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 57' ' ' ASP . 1.5 pt -63.26 -7.98 3.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 119.945 -1.915 . . . . 0.0 108.749 179.514 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 79.9 m-85 -154.47 93.26 1.57 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.827 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.52 -176.51 3.07 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.811 -1.18 . . . . 0.0 112.069 -177.342 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 83' ' ' SER . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.189 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.547 179.608 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.214 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -54.84 -87.27 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.228 -0.92 . . . . 0.0 109.384 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.68 -170.37 1.99 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.221 -0.925 . . . . 0.0 109.52 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.85 -45.76 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 O-C-N 121.275 -0.891 . . . . 0.0 109.631 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -171.57 99.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.186 -0.946 . . . . 0.0 109.668 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.13 158.12 27.05 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.318 -0.864 . . . . 0.0 109.414 179.843 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.94 158.51 18.65 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.253 -0.905 . . . . 0.0 109.495 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 4.8 t -157.12 142.12 12.26 Favored Pre-proline 0 CA--C 1.536 0.422 0 O-C-N 121.311 -0.868 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 21.5 Cg_endo -89.98 159.2 4.92 Favored 'Trans proline' 0 N--CA 1.479 0.632 0 C-N-CA 124.549 3.499 . . . . 0.0 110.344 179.652 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -55.6 175.64 0.08 Allowed 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.242 -0.911 . . . . 0.0 109.419 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 55.55 36.71 27.71 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.209 -0.932 . . . . 0.0 109.33 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -164.45 118.51 1.39 Allowed 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.252 -0.905 . . . . 0.0 109.568 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.35 156.03 22.02 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.41 154.77 20.93 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.102 -1.234 . . . . 0.0 109.555 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -163.97 134.44 4.3 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.284 -0.885 . . . . 0.0 109.412 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' C ' ' H ' ' A' ' 22' ' ' LEU . 1.3 ttp180 -74.61 147.04 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.234 -0.916 . . . . 0.0 109.174 179.847 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.565 ' C ' ' H ' ' A' ' 23' ' ' ASP . 6.1 m170 -77.48 13.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.168 -0.957 . . . . 0.0 109.647 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' H ' ' C ' ' A' ' 20' ' ' ARG . 3.1 mm? 64.35 -10.09 0.15 Allowed 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.71 -0.619 . . . . 0.0 110.022 -179.119 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.565 ' H ' ' C ' ' A' ' 21' ' ' HIS . 35.1 p-10 -116.95 45.69 1.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.158 -0.964 . . . . 0.0 109.18 179.829 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 71.65 -42.14 0.52 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.739 -0.601 . . . . 0.0 110.063 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.434 ' H ' ' C ' ' A' ' 23' ' ' ASP . 2.2 ttm180 -61.85 145.65 52.05 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.008 -1.058 . . . . 0.0 109.509 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -121.18 138.79 54.05 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.231 -0.918 . . . . 0.0 109.129 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.63 178.03 7.9 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.146 -0.971 . . . . 0.0 109.658 -179.801 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.33 121.81 33.64 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.316 -0.865 . . . . 0.0 109.449 -179.893 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -104.2 137.7 41.74 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.23 -0.919 . . . . 0.0 108.904 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -54.34 162.3 1.12 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.199 -0.938 . . . . 0.0 109.638 -179.639 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 mt -74.6 -166.8 0.48 Allowed 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.336 -0.852 . . . . 0.0 109.876 -179.481 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mt -71.56 155.55 40.42 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.293 -0.88 . . . . 0.0 109.408 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 m120 57.03 18.4 3.98 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.238 -0.914 . . . . 0.0 109.351 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -128.71 118.88 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.358 -0.839 . . . . 0.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.19 -171.33 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.265 -0.897 . . . . 0.0 109.219 179.783 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -133.53 129.69 37.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.549 -0.72 . . . . 0.0 109.345 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -138.64 95.21 2.94 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.232 -0.917 . . . . 0.0 109.496 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.09 -97.57 2.27 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.626 -1.389 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -138.8 13.16 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.252 -1.146 . . . . 0.0 109.57 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HG2' ' HZ1' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -140.47 130.03 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.224 -0.922 . . . . 0.0 109.5 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.1 m -77.13 151.72 35.24 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.314 -0.866 . . . . 0.0 109.514 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.7 m -132.35 177.84 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 121.129 -0.982 . . . . 0.0 109.24 179.765 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.48 115.99 15.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.093 -1.004 . . . . 0.0 109.374 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.3 t-20 -78.04 128.05 79.84 Favored Pre-proline 0 CA--C 1.535 0.374 0 O-C-N 121.334 -0.854 . . . . 0.0 109.339 -179.906 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 18.3 Cg_endo -90.93 -15.98 1.54 Allowed 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 124.721 3.614 . . . . 0.0 110.071 179.764 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.04 84.22 4.11 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.216 -0.927 . . . . 0.0 109.646 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -90.72 163.17 4.16 Favored 'Trans proline' 0 N--CA 1.476 0.494 1 C-N-CA 125.539 4.159 . . . . 0.0 109.921 179.778 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.423 ' CG2' ' CG ' ' A' ' 51' ' ' GLU . 10.7 t -163.03 -162.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.127 -0.983 . . . . 0.0 109.823 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.5 m -102.43 -25.07 13.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.381 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -13.42 20.57 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.003 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.423 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 2.1 mt-10 -75.78 49.36 0.52 Allowed 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.208 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p30 41.24 61.99 1.62 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.102 0.477 . . . . 0.0 109.963 -178.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 69.5 56.24 0.36 Allowed 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.145 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -46.2 12.37 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 179.796 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.52 -18.21 74.04 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.721 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.46 172.45 6.88 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.134 -1.215 . . . . 0.0 110.233 -179.893 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -61.21 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.391 -0.818 . . . . 0.0 109.501 179.91 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.403 ' H ' ' CG ' ' A' ' 57' ' ' ASP . . . -149.53 -10.33 0.3 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.394 -0.816 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.41 -15.86 2.78 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.274 -0.891 . . . . 0.0 109.524 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.53 176.66 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.106 -0.996 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.14 121.75 42.38 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.156 -0.965 . . . . 0.0 109.433 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.4 t -90.67 149.32 22.12 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.31 -0.869 . . . . 0.0 109.515 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.75 150.11 35.63 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.248 -0.908 . . . . 0.0 109.526 -179.862 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -135.74 15.57 3.36 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.256 -0.903 . . . . 0.0 109.362 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.33 -0.248 0 O-C-N 121.307 -0.871 . . . . 0.0 109.621 -179.826 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 121.295 0.569 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.81 145.16 24.78 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.199 -0.938 . . . . 0.0 109.244 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.68 116.01 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 121.195 -0.941 . . . . 0.0 109.601 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.07 177.75 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.325 -0.86 . . . . 0.0 109.318 179.892 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.31 162.25 40.12 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.239 -0.913 . . . . 0.0 110.149 -179.892 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -153.52 103.03 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -76.59 102.07 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.257 -0.902 . . . . 0.0 109.342 -179.716 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -77.33 42.62 0.35 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.272 -0.892 . . . . 0.0 109.671 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -122.31 168.36 11.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 121.218 -0.926 . . . . 0.0 109.295 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.433 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 11.2 Cg_endo -87.41 -44.49 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.581 0 C-N-CA 125.14 3.894 . . . . 0.0 110.08 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.433 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 2.8 m-20 -81.93 15.81 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.248 -0.908 . . . . 0.0 109.199 179.681 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.3 p -63.65 104.81 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.336 -0.852 . . . . 0.0 109.515 -179.855 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.439 ' H ' ' H ' ' A' ' 93' ' ' SER . 6.9 m-85 -127.01 69.57 73.56 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.273 -0.892 . . . . 0.0 109.228 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -32.2 150.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.481 0.741 1 C-N-CA 126.168 4.579 . . . . 0.0 110.807 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.6 mt -117.9 -46.33 2.64 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.235 -0.915 . . . . 0.0 109.594 -179.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -108.82 -13.16 14.81 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.145 -0.972 . . . . 0.0 109.531 -179.758 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 166.82 -48.56 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.58 8.29 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.404 ' O ' ' CG ' ' A' ' 91' ' ' PHE . 1.5 pt -89.23 17.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 O-C-N 121.23 -1.159 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 90' ' ' ILE . 70.6 m-85 -154.2 37.89 0.44 Allowed 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.317 -0.864 . . . . 0.0 109.436 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.4 m -56.01 116.16 2.83 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.123 -0.985 . . . . 0.0 109.378 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.439 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 O-C-N 121.25 -0.906 . . . . 0.0 109.417 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.455 ' CE1' ' ND1' ' A' ' 21' ' ' HIS . 1.8 m-70 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -67.15 -108.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.298 -0.876 . . . . 0.0 109.347 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.02 162.35 0.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.334 -0.854 . . . . 0.0 109.012 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.406 ' CG1' ' NH1' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -164.12 123.96 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 O-C-N 121.044 -1.035 . . . . 0.0 109.88 -179.681 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mttt 53.28 55.52 8.65 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.417 -0.802 . . . . 0.0 109.749 179.649 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HZ1' ' HB3' ' A' ' 26' ' ' GLU . 7.6 ttpm? -166.6 125.86 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.203 -0.936 . . . . 0.0 109.509 179.898 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -121.28 89.02 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.291 -0.881 . . . . 0.0 109.271 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.0 173.38 2.62 Favored Pre-proline 0 CA--C 1.532 0.258 0 O-C-N 121.161 -0.962 . . . . 0.0 108.874 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -89.36 165.34 5.45 Favored 'Trans proline' 0 N--CA 1.478 0.57 1 C-N-CA 125.343 4.028 . . . . 0.0 110.587 -179.827 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -57.05 175.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.319 -0.863 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.412 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 3.8 m120 55.25 26.33 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.192 -0.942 . . . . 0.0 109.282 -179.915 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.52 163.15 40.14 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.255 -0.903 . . . . 0.0 109.501 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.81 -168.94 11.95 Favored Glycine 0 CA--C 1.532 1.097 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.0 t -111.44 153.64 25.82 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.103 -1.233 . . . . 0.0 110.154 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.525 ' CE1' ' CD1' ' A' ' 91' ' ' PHE . 0.3 OUTLIER -148.51 106.47 3.71 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.754 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' NH1' ' CG1' ' A' ' 8' ' ' VAL . 29.9 ttp180 -128.96 85.3 2.31 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.11 -0.994 . . . . 0.0 110.413 -179.157 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.481 ' NE2' ' CZ ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 177.97 -179.61 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.56 -0.712 . . . . 0.0 109.384 179.065 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 mt 65.95 3.9 2.79 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.771 0.796 . . . . 0.0 109.694 -179.768 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' H ' ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -171.0 4.89 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.588 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' H ' ' H ' ' A' ' 23' ' ' ASP . 19.3 mt-10 51.64 23.62 2.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.245 0.545 . . . . 0.0 109.611 -179.905 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -110.8 169.56 8.68 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.23 -0.919 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' HB3' ' HZ1' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -115.57 125.79 53.41 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.232 -0.918 . . . . 0.0 109.6 -179.808 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -145.63 159.36 43.26 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.233 -0.917 . . . . 0.0 109.672 179.831 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 69.7 m -109.9 126.79 54.23 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.384 -0.822 . . . . 0.0 109.275 179.77 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -107.19 176.34 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.22 -0.925 . . . . 0.0 108.76 179.695 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.47 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 4.1 m -98.36 158.71 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 120.995 -1.065 . . . . 0.0 108.757 179.474 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.9 mt -73.77 -169.18 0.68 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.068 -1.02 . . . . 0.0 109.632 -179.582 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mt -71.81 158.14 36.63 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.222 -0.924 . . . . 0.0 109.139 179.769 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.2 16.56 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.259 -0.9 . . . . 0.0 109.157 -179.757 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 15' ' ' ASN . 14.1 m-85 -129.8 118.64 22.1 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.419 -0.8 . . . . 0.0 109.381 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.49 -174.31 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.192 -0.943 . . . . 0.0 109.169 179.574 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.82 148.81 26.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.524 -0.735 . . . . 0.0 109.581 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -160.32 113.14 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.178 -0.951 . . . . 0.0 109.474 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.8 -92.63 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -139.07 -0.02 1.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.195 -1.179 . . . . 0.0 109.584 -179.84 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -129.29 133.98 47.73 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.22 -0.925 . . . . 0.0 109.529 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 55.6 m -70.73 137.81 50.0 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.211 -0.93 . . . . 0.0 109.235 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 m -110.34 179.35 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 121.204 -0.935 . . . . 0.0 109.674 -179.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.22 142.69 41.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.396 -0.815 . . . . 0.0 109.29 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.84 65.91 37.07 Favored Pre-proline 0 C--N 1.332 -0.175 0 O-C-N 121.242 -0.911 . . . . 0.0 109.707 -179.753 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -36.49 -31.17 0.1 OUTLIER 'Trans proline' 0 N--CA 1.481 0.756 1 C-N-CA 125.803 4.335 . . . . 0.0 110.407 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -128.72 98.72 24.21 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 121.332 -0.855 . . . . 0.0 109.549 -179.741 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -86.44 169.56 8.26 Favored 'Trans proline' 0 N--CA 1.481 0.737 0 C-N-CA 125.006 3.804 . . . . 0.0 109.964 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.41 ' CG2' ' HB2' ' A' ' 51' ' ' GLU . 12.5 t -152.53 -142.58 0.12 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.045 -1.035 . . . . 0.0 110.055 -179.605 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' N ' ' CG2' ' A' ' 48' ' ' THR . 73.2 m -148.94 -46.17 0.14 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.621 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -68.52 4.68 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.568 -0.708 . . . . 0.0 110.137 -179.534 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' HB2' ' CG2' ' A' ' 48' ' ' THR . 80.4 mt-10 -108.74 58.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.049 -1.032 . . . . 0.0 108.757 179.605 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.74 75.95 0.08 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.113 0.483 . . . . 0.0 110.092 -179.425 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.454 HD21 ' C ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER 63.75 92.14 0.07 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 122.386 1.089 . . . . 0.0 108.866 -179.608 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.77 24.3 10.99 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 107.928 -2.069 . . . . 0.0 107.928 179.595 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 53' ' ' ASN . . . 127.93 -5.08 6.94 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -178.902 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.454 ' C ' HD21 ' A' ' 53' ' ' ASN . 99.1 m -111.01 132.51 54.16 Favored 'General case' 0 CA--C 1.526 0.057 0 O-C-N 121.232 -1.158 . . . . 0.0 108.909 179.471 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 56' ' ' CYS . 0.0 OUTLIER -28.62 123.49 0.12 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.417 0.627 . . . . 0.0 111.431 -179.261 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.9 -26.91 39.05 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.321 -0.862 . . . . 0.0 109.896 -179.31 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.29 -4.58 51.5 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.276 -0.89 . . . . 0.0 109.223 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.34 -179.32 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.325 -0.859 . . . . 0.0 110.026 -179.777 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -102.66 103.8 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.209 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.7 t -84.73 131.57 34.55 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.476 -0.765 . . . . 0.0 109.305 -179.633 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.87 147.01 46.24 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.123 -0.986 . . . . 0.0 109.834 -179.47 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.06 11.29 8.87 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.343 -0.848 . . . . 0.0 109.403 179.907 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--N 1.33 -0.24 0 O-C-N 121.264 -0.898 . . . . 0.0 109.675 -179.799 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.495 ' H ' ' HZ1' ' A' ' 72' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.0 104.94 15.17 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.284 -0.885 . . . . 0.0 109.387 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -145.45 135.79 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 O-C-N 121.372 -0.83 . . . . 0.0 109.404 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.4 145.83 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.214 -0.929 . . . . 0.0 109.664 -179.891 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 m -119.29 119.22 33.38 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.261 -0.899 . . . . 0.0 109.381 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -129.22 108.41 10.32 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 13.3 m -72.41 97.88 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.225 -0.922 . . . . 0.0 109.141 179.796 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 t -62.36 -10.78 12.31 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.234 -0.916 . . . . 0.0 109.494 -179.776 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 171.77 0.28 Allowed Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 121.171 -0.956 . . . . 0.0 109.731 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -92.03 137.07 1.75 Allowed 'Trans proline' 0 N--CA 1.476 0.45 1 C-N-CA 125.615 4.21 . . . . 0.0 109.626 179.505 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.01 12.98 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.061 -1.024 . . . . 0.0 108.878 -179.514 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.2 p -67.66 128.39 36.29 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.454 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 5.6 m-85 -141.99 101.41 5.84 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 121.191 -0.943 . . . . 0.0 109.288 -179.135 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 23.4 Cg_exo -32.4 116.55 0.08 OUTLIER 'Trans proline' 0 N--CA 1.483 0.887 1 C-N-CA 125.393 4.062 . . . . 0.0 111.212 -179.487 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.52 -48.08 61.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.062 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 90' ' ' ILE . 62.9 m-85 -103.95 -117.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -106.82 32.24 4.71 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.422 -0.799 . . . . 0.0 109.485 179.356 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.75 15.21 13.67 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 119.613 -1.279 . . . . 0.0 110.288 179.5 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 87' ' ' PHE . 1.4 pt -88.11 -27.49 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 120.847 -1.384 . . . . 0.0 109.125 179.811 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.525 ' CD1' ' CE1' ' A' ' 19' ' ' PHE . 21.7 m-85 -130.19 175.12 9.17 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.678 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.4 m -138.67 124.7 20.05 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.9 -1.125 . . . . 0.0 109.324 179.812 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.329 -0.284 0 O-C-N 121.235 -0.916 . . . . 0.0 109.436 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.7 mm -84.06 134.15 27.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 O-C-N 121.222 -0.923 . . . . 0.0 109.485 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.4 -179.42 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.172 -0.955 . . . . 0.0 109.421 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -80.01 17.38 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.259 -0.901 . . . . 0.0 109.404 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.488 ' H ' ' HD1' ' A' ' 5' ' ' HIS . 0.1 OUTLIER -103.91 5.79 35.93 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.266 -0.897 . . . . 0.0 109.362 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -60.76 -48.71 80.58 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.257 -0.902 . . . . 0.0 109.291 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 66.03 144.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.292 -0.88 . . . . 0.0 109.45 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 p -179.79 101.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.163 -0.961 . . . . 0.0 109.517 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 175.08 -41.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.296 -0.878 . . . . 0.0 109.427 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.04 -155.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.31 -0.869 . . . . 0.0 109.305 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -143.26 136.0 27.59 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.046 -1.034 . . . . 0.0 109.987 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 t -116.31 137.26 23.37 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -86.34 176.51 4.92 Favored 'Trans proline' 0 N--CA 1.484 0.933 0 C-N-CA 124.394 3.396 . . . . 0.0 110.955 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -59.85 169.91 1.3 Allowed 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.328 -0.858 . . . . 0.0 109.28 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.415 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 57.5 m-20 54.54 25.39 6.2 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 5.0 m -160.38 147.33 15.83 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.588 -0.695 . . . . 0.0 109.501 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.07 163.82 22.29 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.82 162.9 15.26 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.235 -1.156 . . . . 0.0 109.617 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 46.8 t80 -168.02 137.34 2.52 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.229 -0.919 . . . . 0.0 109.537 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 110.32 19.66 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.248 -0.907 . . . . 0.0 109.139 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.546 ' CE1' ' HE ' ' A' ' 25' ' ' ARG . 11.4 m-70 -54.35 142.14 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.319 -0.863 . . . . 0.0 109.584 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.53 ' CD2' ' H ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -66.69 -6.97 17.66 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.421 -0.8 . . . . 0.0 109.151 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.97 23.11 6.69 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.3 -0.875 . . . . 0.0 109.421 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 65.58 57.07 0.89 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.197 -0.939 . . . . 0.0 109.636 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' HE ' ' CE1' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -150.95 128.19 11.25 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.223 -0.923 . . . . 0.0 109.249 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -89.84 127.78 36.05 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.18 -0.95 . . . . 0.0 109.437 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.87 168.34 23.26 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.252 -0.905 . . . . 0.0 109.603 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.3 115.43 22.31 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.549 ' HZ3' HD22 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -102.14 143.38 32.02 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.286 -0.884 . . . . 0.0 109.63 -179.112 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 2.8 m -60.78 152.38 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.197 -0.94 . . . . 0.0 109.899 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.8 mt -59.96 -165.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.542 -0.723 . . . . 0.0 110.053 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.37 162.22 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.38 -0.825 . . . . 0.0 109.731 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 58.07 15.47 3.23 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.344 -0.847 . . . . 0.0 109.711 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CE2' ' HB3' ' A' ' 15' ' ' ASN . 20.7 m-85 -124.57 165.07 18.49 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.249 -0.907 . . . . 0.0 109.417 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.71 -172.22 4.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -112.07 143.64 42.75 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.521 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -166.81 86.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.255 -0.903 . . . . 0.0 109.53 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.72 -113.66 4.75 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.42 11.69 8.68 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.28 -1.129 . . . . 0.0 109.44 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -146.18 142.62 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.327 -0.858 . . . . 0.0 109.148 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 77.7 m -73.3 145.23 46.19 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.224 -0.923 . . . . 0.0 109.372 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -121.17 173.55 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 121.194 -0.941 . . . . 0.0 109.819 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.85 148.21 52.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.248 -0.908 . . . . 0.0 109.528 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.93 68.49 25.37 Favored Pre-proline 0 CA--C 1.531 0.218 0 O-C-N 121.34 -0.85 . . . . 0.0 109.816 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -35.52 -33.34 0.1 Allowed 'Trans proline' 0 N--CA 1.482 0.802 1 C-N-CA 125.815 4.343 . . . . 0.0 110.474 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.0 93.01 13.7 Favored Pre-proline 0 CA--C 1.533 0.303 0 O-C-N 121.342 -0.849 . . . . 0.0 109.441 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -90.2 148.19 4.53 Favored 'Trans proline' 0 N--CA 1.477 0.541 1 C-N-CA 125.362 4.042 . . . . 0.0 110.347 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 t -134.2 -167.07 1.9 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.239 -0.913 . . . . 0.0 109.45 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.41 ' C ' ' H ' ' A' ' 51' ' ' GLU . 2.0 m -111.66 -26.12 9.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -70.38 1.61 4.79 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 121.347 -0.846 . . . . 0.0 108.737 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.5 pt-20 -99.78 51.24 0.92 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.96 73.08 0.14 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.232 0.539 . . . . 0.0 110.546 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.549 HD22 ' HZ3' ' A' ' 29' ' ' LYS . 6.1 t30 59.68 85.14 0.11 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.809 0.814 . . . . 0.0 109.003 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.79 43.94 2.57 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.93 -17.66 5.68 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 108.029 -2.029 . . . . 0.0 108.029 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' ASP . 38.6 m -111.82 110.79 21.33 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.481 -1.011 . . . . 0.0 109.159 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' CYS . 31.8 t0 -28.03 136.77 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.401 0.619 . . . . 0.0 111.958 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.93 -32.74 61.52 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -15.78 49.28 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.408 -0.807 . . . . 0.0 108.931 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.93 174.46 7.32 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.209 -0.932 . . . . 0.0 109.453 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -99.43 168.59 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.327 -0.858 . . . . 0.0 109.294 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.2 t -132.8 141.63 48.58 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.251 -0.905 . . . . 0.0 109.237 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.84 140.69 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.165 -0.959 . . . . 0.0 109.551 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.37 -3.11 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.288 -0.883 . . . . 0.0 109.439 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -73.31 66.05 0.9 Allowed 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.375 -0.828 . . . . 0.0 109.419 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -159.5 14.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.296 -0.877 . . . . 0.0 109.362 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.462 ' HB3' ' H ' ' A' ' 73' ' ' LYS . 4.9 p -99.91 -167.68 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.282 -0.887 . . . . 0.0 109.634 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.86 40.13 0.02 OUTLIER Glycine 0 CA--C 1.532 1.096 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.48 -167.89 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.226 -1.161 . . . . 0.0 109.502 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.57 -7.78 53.27 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.267 -0.896 . . . . 0.0 109.462 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.31 81.1 0.35 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -61.06 178.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.253 -1.145 . . . . 0.0 109.602 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.462 ' H ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -131.03 165.59 22.87 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.289 -0.882 . . . . 0.0 109.128 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.85 128.5 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 O-C-N 121.246 -0.908 . . . . 0.0 109.559 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -120.46 160.32 23.37 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.351 -0.843 . . . . 0.0 109.394 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 69.7 m -124.21 143.78 50.32 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.268 -0.895 . . . . 0.0 108.935 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -140.27 110.9 6.78 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.05 -1.031 . . . . 0.0 109.934 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.88 105.53 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.312 -0.868 . . . . 0.0 109.054 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -72.09 -18.54 61.91 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.272 -0.893 . . . . 0.0 110.029 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -54.57 168.03 0.53 Allowed Pre-proline 0 CA--C 1.533 0.315 0 O-C-N 121.114 -0.991 . . . . 0.0 109.543 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.441 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 11.6 Cg_endo -87.99 -41.59 0.05 OUTLIER 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 125.285 3.99 . . . . 0.0 110.155 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.441 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 1.3 t70 -80.5 17.87 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.221 -0.925 . . . . 0.0 109.015 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 81' ' ' PRO . 53.0 p -55.18 108.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.504 -0.747 . . . . 0.0 109.755 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -143.83 68.78 16.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 O-C-N 121.309 -0.87 . . . . 0.0 108.993 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -31.17 119.27 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.743 1 C-N-CA 126.324 4.682 . . . . 0.0 111.083 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.0 mt -76.71 -19.91 57.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.421 ' CD2' HD13 ' A' ' 90' ' ' ILE . 96.6 m-85 -132.08 -106.65 0.26 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -113.5 23.42 13.19 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.012 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.89 41.61 1.8 Allowed Glycine 0 CA--C 1.531 1.069 0 C-N-CA 119.736 -1.221 . . . . 0.0 110.343 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.421 HD13 ' CD2' ' A' ' 87' ' ' PHE . 2.4 pt -111.82 -21.3 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 121.027 -1.278 . . . . 0.0 109.245 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.482 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 33.9 m-85 -137.0 63.79 1.56 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.327 -0.858 . . . . 0.0 109.558 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 18.7 m -61.8 118.87 7.75 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.319 -0.863 . . . . 0.0 109.39 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.23 133.2 49.16 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.199 -0.938 . . . . 0.0 109.375 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 p 176.13 111.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.232 -0.918 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 p -175.34 153.34 1.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.248 -0.908 . . . . 0.0 109.447 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.456 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -176.94 141.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 121.296 -0.877 . . . . 0.0 109.381 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -134.21 84.9 2.15 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.19 -0.944 . . . . 0.0 109.514 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.434 ' HG2' ' HD1' ' A' ' 5' ' ' HIS . 1.9 tt0 -78.13 169.88 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.242 -0.911 . . . . 0.0 109.438 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.505 ' N ' ' HD1' ' A' ' 5' ' ' HIS . 2.3 p-80 -58.03 -39.18 77.74 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.387 -0.82 . . . . 0.0 109.782 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 66.41 137.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.313 -0.867 . . . . 0.0 109.651 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 m -135.13 5.05 3.26 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.131 -0.981 . . . . 0.0 109.486 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.459 ' CG1' ' H ' ' A' ' 9' ' ' LYS . 14.2 t 57.29 -124.29 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 121.224 -0.923 . . . . 0.0 109.402 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' H ' ' CG1' ' A' ' 8' ' ' VAL . 1.8 ttpt -100.24 44.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.281 -0.887 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.95 120.32 39.51 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.242 -0.911 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -130.11 117.0 19.29 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.212 -0.93 . . . . 0.0 109.592 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -93.21 175.89 2.86 Favored Pre-proline 0 CA--C 1.533 0.293 0 O-C-N 121.335 -0.853 . . . . 0.0 109.231 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 12' ' ' CYS . 11.9 Cg_endo -88.05 172.37 5.33 Favored 'Trans proline' 0 N--CA 1.479 0.621 0 C-N-CA 125.283 3.988 . . . . 0.0 110.576 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -54.4 171.52 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.288 -0.882 . . . . 0.0 109.511 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 56.67 18.74 3.84 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.254 -0.903 . . . . 0.0 109.251 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.43 ' HG ' ' N ' ' A' ' 17' ' ' GLY . 43.3 t -163.41 157.45 19.92 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.227 -0.921 . . . . 0.0 109.662 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.43 ' N ' ' HG ' ' A' ' 16' ' ' SER . . . -152.73 158.23 27.75 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 109.354 -1.499 . . . . 0.0 109.354 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 p -73.08 160.38 32.12 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.143 -1.21 . . . . 0.0 109.201 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.508 ' CE1' ' CD2' ' A' ' 21' ' ' HIS . 19.5 t80 -157.38 104.97 2.05 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.14 -0.975 . . . . 0.0 109.625 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -83.11 -115.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.371 -0.831 . . . . 0.0 109.114 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.508 ' CD2' ' CE1' ' A' ' 19' ' ' PHE . 20.4 m-70 59.59 -157.14 0.33 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mt 60.12 15.33 5.1 Favored 'General case' 0 C--O 1.225 -0.216 0 O-C-N 121.159 -0.963 . . . . 0.0 109.179 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 76.4 -42.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -161.45 8.98 0.08 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.107 -0.996 . . . . 0.0 110.692 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.51 103.96 15.91 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 120.719 -1.238 . . . . 0.0 109.571 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -115.24 138.05 51.36 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.339 -0.851 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -163.64 164.87 23.86 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.239 -0.913 . . . . 0.0 109.471 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 m -95.0 107.56 19.61 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.254 -0.904 . . . . 0.0 109.33 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HZ2' ' HA2' ' A' ' 55' ' ' GLY . 18.6 tttt -104.69 143.28 33.31 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.251 -0.906 . . . . 0.0 109.104 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.99 162.09 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.131 -0.981 . . . . 0.0 109.546 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.41 HD23 ' CD1' ' A' ' 87' ' ' PHE . 44.8 mt -69.52 -167.61 0.14 Allowed 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.153 -0.967 . . . . 0.0 109.737 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.64 156.07 39.8 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.358 -0.839 . . . . 0.0 109.422 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 57.89 17.09 4.04 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.413 -0.804 . . . . 0.0 109.42 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -127.63 121.63 30.98 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.453 -0.779 . . . . 0.0 109.231 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.66 -177.67 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.273 -0.892 . . . . 0.0 109.131 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -126.94 129.55 48.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.402 -0.811 . . . . 0.0 109.449 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -146.63 97.28 2.89 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.258 -0.901 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.05 -99.8 2.41 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.76 4.03 2.09 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.258 -1.143 . . . . 0.0 109.415 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm -133.43 129.67 37.61 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.334 -0.854 . . . . 0.0 109.363 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -76.57 145.49 38.95 Favored 'General case' 0 C--N 1.33 -0.283 0 O-C-N 121.243 -0.911 . . . . 0.0 109.424 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.0 m -121.46 -179.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 121.273 -0.892 . . . . 0.0 109.397 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.21 137.25 42.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.199 -0.938 . . . . 0.0 109.344 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -124.58 67.37 48.9 Favored Pre-proline 0 C--N 1.331 -0.234 0 O-C-N 121.252 -0.905 . . . . 0.0 109.671 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -35.32 -32.75 0.09 OUTLIER 'Trans proline' 0 N--CA 1.482 0.833 1 C-N-CA 125.891 4.394 . . . . 0.0 110.37 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -120.59 95.98 48.95 Favored Pre-proline 0 CA--C 1.535 0.379 0 O-C-N 121.339 -0.85 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -84.83 174.95 7.12 Favored 'Trans proline' 0 N--CA 1.48 0.693 0 C-N-CA 125.013 3.809 . . . . 0.0 110.334 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.408 ' CG2' ' HB2' ' A' ' 51' ' ' GLU . 12.9 t -140.0 -159.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.19 -0.944 . . . . 0.0 109.963 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.5 m -145.35 -38.81 0.25 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -69.33 3.18 2.39 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.484 -0.76 . . . . 0.0 109.706 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HB2' ' CG2' ' A' ' 48' ' ' THR . 79.3 mm-40 -105.45 60.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.149 -0.969 . . . . 0.0 108.943 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.07 72.15 0.16 Allowed 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.001 0.429 . . . . 0.0 110.873 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 22.2 t-20 58.69 80.98 0.17 Allowed 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.408 -0.808 . . . . 0.0 109.631 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.99 92.6 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 107.745 -2.142 . . . . 0.0 107.745 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.419 ' HA2' ' HZ2' ' A' ' 29' ' ' LYS . . . -160.45 -4.74 0.05 OUTLIER Glycine 0 CA--C 1.523 0.545 0 N-CA-C 107.404 -2.279 . . . . 0.0 107.404 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' ASP . 73.6 m -111.61 120.6 42.63 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.728 -0.866 . . . . 0.0 109.09 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' CYS . 0.0 OUTLIER -26.25 131.21 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.434 0.635 . . . . 0.0 111.877 -179.209 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.95 -30.26 58.48 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.298 -0.876 . . . . 0.0 109.256 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -89.39 -6.79 56.28 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.379 -0.826 . . . . 0.0 109.223 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.3 160.05 14.63 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.285 -0.884 . . . . 0.0 109.735 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.66 165.34 24.38 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.392 -0.817 . . . . 0.0 109.133 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.1 t -140.16 134.86 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.247 -0.908 . . . . 0.0 109.533 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p -124.34 139.17 54.16 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.19 -0.944 . . . . 0.0 109.493 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.18 17.79 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.352 -0.842 . . . . 0.0 109.652 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -53.5 141.53 24.93 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.342 -0.849 . . . . 0.0 109.706 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -55.07 -34.62 63.75 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.302 -0.873 . . . . 0.0 109.561 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 m 58.71 -94.74 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.255 -0.903 . . . . 0.0 109.47 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.31 88.49 0.07 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -143.67 -94.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.258 -1.143 . . . . 0.0 109.439 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -136.89 -48.88 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.19 -0.944 . . . . 0.0 109.448 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -133.12 -116.94 1.77 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.24 137.83 43.5 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.183 -1.187 . . . . 0.0 109.34 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -119.71 114.18 21.78 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.178 -0.951 . . . . 0.0 109.534 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -101.59 141.41 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 121.335 -0.853 . . . . 0.0 109.154 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.04 156.72 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.093 -1.005 . . . . 0.0 109.726 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 m -123.49 143.04 50.42 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.386 -0.821 . . . . 0.0 109.224 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -146.39 96.82 2.84 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.166 -0.959 . . . . 0.0 109.458 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.454 ' HB2' ' HG ' ' A' ' 83' ' ' SER . 4.6 m -73.31 128.88 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.31 -0.869 . . . . 0.0 109.455 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.1 t -93.14 36.17 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.317 -0.864 . . . . 0.0 109.348 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -111.21 168.29 7.81 Favored Pre-proline 0 CA--C 1.532 0.285 0 O-C-N 121.224 -0.922 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -85.91 -35.44 0.14 Allowed 'Trans proline' 0 N--CA 1.478 0.569 0 C-N-CA 125.085 3.857 . . . . 0.0 109.895 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -89.92 20.37 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.36 -0.837 . . . . 0.0 108.907 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.454 ' HG ' ' HB2' ' A' ' 78' ' ' CYS . 14.8 t -53.31 102.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.546 -0.722 . . . . 0.0 109.605 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -139.36 74.97 34.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 O-C-N 121.312 -0.868 . . . . 0.0 109.077 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -31.4 113.36 0.05 OUTLIER 'Trans proline' 0 N--CA 1.481 0.76 1 C-N-CA 126.071 4.514 . . . . 0.0 111.026 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.32 -10.43 54.76 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.414 ' CD2' HD13 ' A' ' 90' ' ' ILE . 84.6 m-85 -153.39 -109.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -104.2 19.64 19.79 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.618 -0.676 . . . . 0.0 110.053 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.25 21.29 7.4 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 119.484 -1.341 . . . . 0.0 110.349 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.439 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 2.4 pt -89.09 -29.57 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 O-C-N 121.043 -1.269 . . . . 0.0 109.004 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CD1' ' CG ' ' A' ' 19' ' ' PHE . 13.2 m-85 -136.21 101.78 4.8 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.338 -0.851 . . . . 0.0 109.225 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.1 80.72 7.58 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.056 -1.028 . . . . 0.0 109.616 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.42 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 50.8 p -114.69 -92.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.312 -0.867 . . . . 0.0 109.27 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.0 m -148.5 169.22 20.75 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.266 -0.896 . . . . 0.0 109.345 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 m -106.95 -97.7 0.36 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.272 -0.893 . . . . 0.0 109.421 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.434 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.6 p30 . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.472 HD11 ' H ' ' A' ' 2' ' ' ILE . 0.1 OUTLIER -92.83 -148.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 O-C-N 121.255 -0.903 . . . . 0.0 109.424 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p 175.31 16.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.25 -0.906 . . . . 0.0 109.474 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.469 ' HB2' ' H ' ' A' ' 94' ' ' SER . 29.4 mt-30 -144.11 147.83 34.28 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.296 -0.878 . . . . 0.0 109.587 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.408 ' CE1' ' O ' ' A' ' 18' ' ' CYS . 18.5 t60 55.96 93.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.336 -0.853 . . . . 0.0 109.577 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -140.76 54.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.309 -0.869 . . . . 0.0 109.364 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 p -57.87 155.48 10.41 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.156 -0.965 . . . . 0.0 109.356 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.406 HG11 ' H ' ' A' ' 9' ' ' LYS . 1.9 t -58.35 -175.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 O-C-N 121.292 -0.88 . . . . 0.0 109.676 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' H ' HG11 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -74.32 50.95 0.42 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.315 -0.866 . . . . 0.0 109.563 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -55.28 -37.98 68.02 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.291 -0.88 . . . . 0.0 109.306 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 55.88 90.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.285 -0.884 . . . . 0.0 109.459 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.75 172.93 5.82 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 121.153 -0.967 . . . . 0.0 109.013 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -87.66 169.54 6.78 Favored 'Trans proline' 0 N--CA 1.479 0.623 1 C-N-CA 125.381 4.054 . . . . 0.0 110.595 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.1 168.03 0.25 Allowed 'General case' 0 C--N 1.332 -0.158 0 O-C-N 121.328 -0.858 . . . . 0.0 109.425 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 55.34 30.02 14.06 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.213 -0.93 . . . . 0.0 109.128 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -164.96 123.85 1.76 Allowed 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.297 -0.877 . . . . 0.0 109.907 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -104.45 -160.75 24.17 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 109.224 -1.551 . . . . 0.0 109.224 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.408 ' O ' ' CE1' ' A' ' 5' ' ' HIS . 7.3 t -122.2 141.49 51.41 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.121 -1.223 . . . . 0.0 109.661 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CE1' ' CD2' ' A' ' 21' ' ' HIS . 4.4 t80 -150.02 145.32 26.34 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.501 ' HA ' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -155.82 80.09 1.01 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.341 -0.849 . . . . 0.0 108.766 -179.241 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.491 ' CD2' ' CE1' ' A' ' 19' ' ' PHE . 55.5 m-70 -149.07 -32.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.051 -1.031 . . . . 0.0 110.64 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.464 HD11 ' H ' ' A' ' 22' ' ' LEU . 9.0 mp -53.51 -22.91 8.98 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.249 -0.907 . . . . 0.0 110.128 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.37 19.37 1.54 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 60.43 16.22 6.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.0 45.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.501 ' CB ' ' HA ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -68.55 -130.1 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.753 -0.592 . . . . 0.0 110.169 -179.154 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' H ' ' HB3' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -174.99 -168.26 0.33 Allowed 'General case' 0 C--O 1.233 0.187 0 O-C-N 120.666 -1.271 . . . . 0.0 109.671 -179.712 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.6 m -69.65 132.12 45.67 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.515 -0.74 . . . . 0.0 109.351 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 138.78 54.4 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.213 -0.93 . . . . 0.0 108.798 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -54.49 159.18 2.17 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.045 -1.035 . . . . 0.0 109.521 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.6 mt -69.54 -167.36 0.13 Allowed 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.241 -0.912 . . . . 0.0 110.166 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 157.44 38.08 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 121.464 -0.773 . . . . 0.0 109.654 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 57.71 16.26 3.39 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.265 -0.897 . . . . 0.0 109.475 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -127.57 115.92 19.55 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.394 -0.816 . . . . 0.0 109.792 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.09 177.69 4.77 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.157 -0.965 . . . . 0.0 108.8 179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -98.82 144.8 27.64 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.146 -0.971 . . . . 0.0 109.434 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -150.2 76.84 1.29 Allowed 'General case' 0 C--N 1.332 -0.182 0 O-C-N 121.168 -0.957 . . . . 0.0 109.613 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.31 -80.26 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.2 -10.53 0.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.212 -1.17 . . . . 0.0 109.572 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -118.9 130.51 55.77 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.257 -0.902 . . . . 0.0 109.173 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.6 m -73.03 125.79 28.47 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.057 -1.027 . . . . 0.0 109.493 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 m -101.96 -178.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 121.287 -0.883 . . . . 0.0 109.718 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -79.42 138.41 37.61 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.601 -0.687 . . . . 0.0 109.504 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -123.81 66.45 38.3 Favored Pre-proline 0 C--N 1.332 -0.189 0 O-C-N 121.198 -0.939 . . . . 0.0 109.589 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -34.61 -32.89 0.07 OUTLIER 'Trans proline' 0 N--CA 1.482 0.814 1 C-N-CA 126.005 4.47 . . . . 0.0 110.738 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.96 90.78 50.36 Favored Pre-proline 0 CA--C 1.533 0.317 0 O-C-N 121.252 -0.905 . . . . 0.0 109.739 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -91.47 158.54 3.64 Favored 'Trans proline' 0 N--CA 1.477 0.543 1 C-N-CA 125.393 4.062 . . . . 0.0 110.393 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 t -133.42 -164.33 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.17 -0.956 . . . . 0.0 109.573 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.86 -24.45 4.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -69.94 1.0 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -98.51 50.07 0.99 Allowed 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 42.41 72.34 0.18 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.384 0.611 . . . . 0.0 109.7 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.456 HD21 ' C ' ' A' ' 56' ' ' CYS . 0.1 OUTLIER 64.52 91.09 0.08 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 122.837 1.303 . . . . 0.0 108.35 -179.197 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -105.23 38.35 3.34 Favored Glycine 0 CA--C 1.518 0.245 0 N-CA-C 107.624 -2.19 . . . . 0.0 107.624 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 133.12 -19.62 4.33 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 107.432 -2.267 . . . . 0.0 107.432 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.456 ' C ' HD21 ' A' ' 53' ' ' ASN . 56.6 m -112.5 128.42 56.33 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.459 -1.024 . . . . 0.0 108.7 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -45.9 140.21 3.78 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.309 0.576 . . . . 0.0 110.354 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.0 -32.52 47.03 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.618 -0.676 . . . . 0.0 109.264 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -16.05 36.03 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.318 -0.864 . . . . 0.0 109.198 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.19 162.34 18.38 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.265 -0.897 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -89.95 153.95 20.22 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.301 -0.874 . . . . 0.0 109.039 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 36.9 t -124.42 132.0 53.51 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.18 -0.95 . . . . 0.0 109.445 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -116.68 139.66 50.29 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.239 -0.913 . . . . 0.0 109.362 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.37 19.49 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.224 -0.923 . . . . 0.0 109.669 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -53.37 118.76 4.08 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.376 -0.828 . . . . 0.0 109.661 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -55.47 164.76 0.93 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.247 -0.908 . . . . 0.0 109.658 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.88 -0.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.298 -0.876 . . . . 0.0 109.414 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.9 114.08 0.51 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.1 m -55.06 160.53 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.221 -1.164 . . . . 0.0 109.422 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.6 t30 58.14 64.56 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.265 -0.897 . . . . 0.0 109.43 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 141.38 109.44 0.77 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.41 148.48 22.77 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.251 -1.147 . . . . 0.0 109.412 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -112.27 130.86 55.79 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.293 -0.879 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.77 124.99 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 O-C-N 121.274 -0.892 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.68 163.6 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.23 -0.919 . . . . 0.0 109.525 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -135.97 114.31 11.62 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.219 -0.926 . . . . 0.0 109.452 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -112.04 98.77 7.57 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.216 -0.927 . . . . 0.0 109.224 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 34.6 m -59.77 153.47 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.21 -0.932 . . . . 0.0 109.702 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 t -104.75 10.22 34.7 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.349 -0.845 . . . . 0.0 109.111 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.431 ' HZ2' HE22 ' A' ' 4' ' ' GLN . 16.4 mmmt -71.06 154.55 94.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 O-C-N 121.318 -0.864 . . . . 0.0 108.99 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.407 ' HB2' ' H ' ' A' ' 82' ' ' ASP . 6.9 Cg_exo -37.35 -92.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.482 0.844 0 C-N-CA 125.275 3.984 . . . . 0.0 110.004 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.407 ' H ' ' HB2' ' A' ' 81' ' ' PRO . 3.5 t70 -90.93 -2.93 57.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 120.759 -1.213 . . . . 0.0 107.776 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.401 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER 61.34 156.73 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.331 0.586 . . . . 0.0 109.673 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 83' ' ' SER . 67.0 m-85 -152.8 59.44 2.86 Favored Pre-proline 0 C--N 1.33 -0.273 0 O-C-N 120.863 -1.148 . . . . 0.0 109.757 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -36.85 110.94 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.761 1 C-N-CA 125.783 4.322 . . . . 0.0 110.482 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.9 mt -76.59 -6.54 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -153.7 -108.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -112.48 18.13 18.7 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.544 -0.723 . . . . 0.0 109.772 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.52 -18.08 8.8 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 119.638 -1.267 . . . . 0.0 110.206 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.406 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -55.14 -37.13 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 121.11 -1.23 . . . . 0.0 109.429 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 13.5 m-85 -130.84 123.77 29.8 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.134 -0.979 . . . . 0.0 109.089 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 94.56 4.87 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.147 -0.97 . . . . 0.0 109.469 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.97 -168.0 0.61 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.266 -0.896 . . . . 0.0 109.422 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.469 ' H ' ' HB2' ' A' ' 4' ' ' GLN . 1.4 m 55.1 -167.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.25 -0.906 . . . . 0.0 109.525 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 96.4 p -139.6 157.69 45.37 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.246 -0.909 . . . . 0.0 109.358 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.397 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.5 m120 . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.52 76.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 121.312 -0.868 . . . . 0.0 109.376 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 p -134.14 -7.45 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.223 -0.923 . . . . 0.0 109.431 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.06 -95.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.27 -0.894 . . . . 0.0 109.401 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -71.45 -4.13 24.86 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.261 -0.899 . . . . 0.0 109.414 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.49 92.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.21 -0.931 . . . . 0.0 109.399 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 m -54.54 143.03 25.57 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.279 -0.888 . . . . 0.0 109.271 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.0 t -59.44 -74.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 121.133 -0.98 . . . . 0.0 109.499 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -138.31 54.26 1.78 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.163 -0.961 . . . . 0.0 109.692 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HZ3' ' HB2' ' A' ' 18' ' ' CYS . 1.7 mmmp? -91.78 147.32 23.07 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.194 -0.941 . . . . 0.0 109.234 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -144.42 69.44 1.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.133 -0.979 . . . . 0.0 109.721 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -69.28 173.69 3.61 Favored Pre-proline 0 CA--C 1.532 0.274 0 O-C-N 121.205 -0.934 . . . . 0.0 109.05 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -88.18 169.88 6.07 Favored 'Trans proline' 0 N--CA 1.478 0.571 1 C-N-CA 125.335 4.024 . . . . 0.0 110.619 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -53.97 173.25 0.07 Allowed 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.358 -0.839 . . . . 0.0 109.616 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 54.88 31.42 15.74 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.322 -0.861 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.66 139.75 3.14 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.26 -0.9 . . . . 0.0 109.501 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.23 166.65 14.81 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' HB2' ' HZ3' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -88.07 154.87 20.13 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.275 -1.132 . . . . 0.0 109.539 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CZ ' ' OD1' ' A' ' 57' ' ' ASP . 5.1 t80 -160.01 108.14 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.254 -0.904 . . . . 0.0 109.403 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.418 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 31.0 ttp85 -107.76 78.84 1.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.377 -0.827 . . . . 0.0 109.379 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.431 ' C ' ' H ' ' A' ' 23' ' ' ASP . 85.9 m-70 -154.9 164.89 38.21 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.362 -0.836 . . . . 0.0 109.984 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 71.05 -40.94 0.49 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.77 -0.581 . . . . 0.0 110.443 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' A' ' 21' ' ' HIS . 20.5 p30 -109.55 7.63 24.75 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.053 -1.03 . . . . 0.0 109.543 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 55.21 21.14 3.81 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.276 -0.89 . . . . 0.0 109.127 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -143.39 151.26 40.2 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.347 -0.846 . . . . 0.0 109.26 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -78.2 141.32 38.72 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.276 -0.89 . . . . 0.0 109.716 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -139.05 162.81 34.02 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.371 -0.831 . . . . 0.0 109.208 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.6 m -109.72 95.42 5.59 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.136 -0.978 . . . . 0.0 109.64 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.505 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 8.6 tttt -87.15 168.81 12.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.505 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.3 m -90.14 166.46 13.38 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.857 -1.152 . . . . 0.0 109.22 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.5 mt -74.98 -164.87 0.33 Allowed 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.151 -0.968 . . . . 0.0 110.169 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.18 153.64 42.33 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.262 -0.898 . . . . 0.0 109.728 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 56.95 18.65 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.298 -0.876 . . . . 0.0 109.348 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -125.93 120.06 29.4 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.316 -0.865 . . . . 0.0 109.245 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.06 -178.9 3.79 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.179 -0.951 . . . . 0.0 108.997 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -112.49 126.27 55.14 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.369 -0.832 . . . . 0.0 109.287 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.22 130.91 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.191 -0.943 . . . . 0.0 109.501 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.18 -101.84 0.6 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.77 4.16 3.03 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.213 -1.169 . . . . 0.0 109.411 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -135.82 147.57 48.34 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.236 -0.915 . . . . 0.0 109.171 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 77.6 m -79.12 143.1 35.82 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.137 -0.977 . . . . 0.0 109.368 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 m -121.32 -179.32 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 O-C-N 121.207 -0.933 . . . . 0.0 109.596 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.14 138.44 40.73 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.538 -0.726 . . . . 0.0 109.39 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -130.39 67.07 79.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 O-C-N 121.269 -0.894 . . . . 0.0 109.67 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -35.88 -32.04 0.09 OUTLIER 'Trans proline' 0 N--CA 1.483 0.866 1 C-N-CA 125.848 4.366 . . . . 0.0 110.359 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.97 95.85 49.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 O-C-N 121.279 -0.888 . . . . 0.0 109.474 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -84.19 179.02 4.84 Favored 'Trans proline' 0 N--CA 1.481 0.765 0 C-N-CA 124.938 3.759 . . . . 0.0 110.261 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.415 ' CG2' ' CG ' ' A' ' 51' ' ' GLU . 15.4 t -149.49 -160.73 1.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.272 -0.892 . . . . 0.0 109.815 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.413 ' C ' ' H ' ' A' ' 51' ' ' GLU . 3.1 m -141.57 -38.79 0.39 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.431 -0.793 . . . . 0.0 108.92 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -69.12 3.83 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.545 -0.722 . . . . 0.0 109.647 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 71.0 mm-40 -108.19 59.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.203 -0.935 . . . . 0.0 108.913 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.02 73.89 0.11 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.009 0.433 . . . . 0.0 111.014 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.4 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 17.9 t-20 58.95 82.51 0.14 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.454 -0.779 . . . . 0.0 109.394 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.7 -37.55 76.69 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 107.651 -2.18 . . . . 0.0 107.651 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -157.18 -4.38 0.08 OUTLIER Glycine 0 CA--C 1.522 0.51 0 N-CA-C 107.284 -2.326 . . . . 0.0 107.284 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASP . 60.7 m -111.83 124.73 52.97 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.656 -0.908 . . . . 0.0 109.171 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 56' ' ' CYS . 19.1 t0 -32.7 135.65 0.09 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.497 0.665 . . . . 0.0 111.516 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.12 -23.72 8.74 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.55 -0.719 . . . . 0.0 109.338 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -97.98 -15.64 20.01 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.397 -0.814 . . . . 0.0 109.302 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.34 162.33 19.12 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.169 -0.957 . . . . 0.0 109.684 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -83.38 164.53 19.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.372 -0.83 . . . . 0.0 109.122 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.5 t -135.83 133.26 37.63 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.224 -0.922 . . . . 0.0 109.694 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -122.49 138.7 54.47 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.249 -0.907 . . . . 0.0 109.276 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.58 19.33 2.53 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.418 -0.801 . . . . 0.0 109.623 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -53.27 137.26 35.18 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.457 -0.777 . . . . 0.0 109.701 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.54 163.78 0.85 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.265 -0.897 . . . . 0.0 109.531 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.45 -6.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.326 -0.858 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -136.82 -99.99 0.55 Allowed Glycine 0 CA--C 1.529 0.937 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 p -170.14 -89.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.248 -1.148 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -87.49 36.2 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.248 -0.908 . . . . 0.0 109.435 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.14 97.86 0.15 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.41 149.47 40.45 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.171 -1.193 . . . . 0.0 109.506 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.13 130.27 55.68 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.302 -0.874 . . . . 0.0 109.461 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 mm -111.63 111.18 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 121.3 -0.875 . . . . 0.0 109.384 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.27 137.91 48.41 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.196 -0.94 . . . . 0.0 109.374 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.0 m -104.45 155.86 18.44 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.217 -0.927 . . . . 0.0 109.414 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -156.69 101.15 1.97 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.288 -0.882 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.422 ' HB3' ' HG ' ' A' ' 83' ' ' SER . 2.3 m -60.24 97.19 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.185 -0.947 . . . . 0.0 108.758 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.8 t -73.54 46.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.264 -0.897 . . . . 0.0 110.049 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -138.76 167.79 18.13 Favored Pre-proline 0 C--N 1.329 -0.321 0 O-C-N 121.102 -0.999 . . . . 0.0 109.446 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 16.5 Cg_endo -89.29 -45.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.571 1 C-N-CA 125.344 4.029 . . . . 0.0 110.037 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.464 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 50.5 m-20 -82.82 25.71 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.379 -0.825 . . . . 0.0 109.147 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.422 ' HG ' ' HB3' ' A' ' 78' ' ' CYS . 0.4 OUTLIER -99.45 113.07 25.22 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.521 -0.737 . . . . 0.0 109.356 -179.528 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 82' ' ' ASP . 0.5 OUTLIER -120.93 77.19 30.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 O-C-N 121.2 -0.937 . . . . 0.0 109.572 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -32.58 110.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.482 0.822 1 C-N-CA 125.824 4.349 . . . . 0.0 110.878 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.0 mt -71.6 -33.12 68.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -117.26 -106.27 0.39 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.94 17.56 20.38 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.802 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.04 1.77 22.26 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 119.679 -1.248 . . . . 0.0 110.398 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.446 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 3.0 pt -68.51 -26.24 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 120.894 -1.357 . . . . 0.0 109.253 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 29.4 m-85 -140.4 96.26 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.245 -0.909 . . . . 0.0 109.751 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.69 133.68 47.32 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.206 -0.934 . . . . 0.0 108.906 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.414 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -53.88 171.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.349 -0.844 . . . . 0.0 109.511 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.91 174.58 14.92 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.299 -0.876 . . . . 0.0 109.488 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.78 -70.1 0.54 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.244 -0.91 . . . . 0.0 109.466 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.497 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.3 mm 55.59 31.09 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 O-C-N 121.349 -0.844 . . . . 0.0 109.435 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.49 3.66 54.85 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.293 -0.879 . . . . 0.0 109.372 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -117.81 129.33 55.61 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.22 -0.925 . . . . 0.0 109.437 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 56.84 46.6 19.5 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.161 -0.962 . . . . 0.0 109.405 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -28.56 46.13 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.48 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.98 107.01 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.21 -0.931 . . . . 0.0 109.343 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 m -66.25 -174.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.26 -0.9 . . . . 0.0 109.653 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 68.42 1.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.31 -0.869 . . . . 0.0 109.308 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -159.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.255 -0.903 . . . . 0.0 109.671 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -101.13 152.49 20.57 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.365 -0.835 . . . . 0.0 109.367 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 12.3 t -165.0 139.0 4.01 Favored Pre-proline 0 CA--C 1.538 0.506 0 O-C-N 121.296 -0.877 . . . . 0.0 108.955 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 24.2 Cg_endo -87.77 -177.92 2.12 Favored 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 124.552 3.502 . . . . 0.0 110.655 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -73.4 176.17 6.28 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.386 -0.821 . . . . 0.0 109.253 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.8 m120 57.13 21.15 6.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.137 -0.977 . . . . 0.0 108.713 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.78 140.57 18.13 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.314 -0.866 . . . . 0.0 109.626 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.06 -129.43 5.08 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.502 ' HA ' ' H ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -167.81 144.55 4.19 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 120.945 -1.327 . . . . 0.0 110.011 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CG ' ' N ' ' A' ' 20' ' ' ARG . 42.3 t80 -156.82 -177.75 6.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -129.99 102.94 6.49 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.189 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.573 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 1.2 m170 -49.34 162.64 0.13 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.478 0.656 . . . . 0.0 109.519 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.546 ' H ' ' CD2' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -62.44 -8.08 5.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.701 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' 21' ' ' HIS . 8.1 p30 -81.07 9.68 6.32 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 74.73 30.74 0.98 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 175.09 128.72 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.946 -1.096 . . . . 0.0 110.488 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.573 ' CB ' ' H ' ' A' ' 21' ' ' HIS . 1.9 tp10 -139.78 -36.42 0.51 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.034 -1.041 . . . . 0.0 108.833 178.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 71.58 -167.61 0.14 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.965 0.888 . . . . 0.0 110.803 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -52.43 107.88 0.25 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.571 0.7 . . . . 0.0 109.756 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.502 ' H ' ' HA ' ' A' ' 18' ' ' CYS . 1.7 tmtt? -97.29 -179.38 4.48 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.486 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 46.0 m -92.05 172.66 8.29 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.037 -1.039 . . . . 0.0 109.449 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CD2' ' CD2' ' A' ' 87' ' ' PHE . 12.7 mt -91.01 -167.82 1.91 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.291 -0.881 . . . . 0.0 109.675 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.03 148.6 49.85 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.282 -0.886 . . . . 0.0 109.265 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 58.82 16.14 4.3 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.224 -0.922 . . . . 0.0 109.557 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -124.21 114.07 19.14 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.275 -0.891 . . . . 0.0 109.527 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -98.16 -170.95 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.288 -0.883 . . . . 0.0 109.151 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.76 155.45 19.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.566 -0.709 . . . . 0.0 109.498 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -166.2 71.74 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.273 -0.892 . . . . 0.0 109.42 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.77 -104.4 2.91 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -125.43 5.03 7.65 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.321 -1.105 . . . . 0.0 109.417 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.24 135.96 37.68 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.254 -0.904 . . . . 0.0 109.325 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.8 m -73.47 141.42 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.145 -0.972 . . . . 0.0 109.435 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.0 m -113.07 178.17 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 O-C-N 121.226 -0.921 . . . . 0.0 109.365 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.33 124.72 27.96 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.152 -0.967 . . . . 0.0 109.45 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -84.93 114.15 54.06 Favored Pre-proline 0 CA--C 1.536 0.406 0 O-C-N 121.289 -0.882 . . . . 0.0 109.396 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -89.45 -15.61 2.27 Favored 'Trans proline' 0 N--CA 1.478 0.585 0 C-N-CA 124.83 3.687 . . . . 0.0 110.236 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -144.02 76.38 15.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 121.226 -0.921 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -90.96 131.93 1.53 Allowed 'Trans proline' 0 N--CA 1.477 0.505 1 C-N-CA 125.628 4.219 . . . . 0.0 110.359 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.449 ' CG2' ' CG ' ' A' ' 51' ' ' GLU . 9.8 t -130.51 -129.5 0.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.19 -0.943 . . . . 0.0 109.738 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.441 ' N ' ' CG2' ' A' ' 48' ' ' THR . 3.9 m -140.59 -36.71 0.47 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -70.15 1.49 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.449 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 28.6 mm-40 -97.37 52.6 1.12 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 41.71 71.58 0.2 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.265 0.555 . . . . 0.0 109.637 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.468 HD21 ' C ' ' A' ' 56' ' ' CYS . 0.1 OUTLIER 65.5 92.46 0.07 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 122.867 1.318 . . . . 0.0 108.411 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.93 36.47 3.95 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 107.776 -2.13 . . . . 0.0 107.776 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.94 -12.47 6.49 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 107.964 -2.054 . . . . 0.0 107.964 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.468 ' C ' HD21 ' A' ' 53' ' ' ASN . 76.0 m -111.62 132.72 54.37 Favored 'General case' 0 N--CA 1.462 0.164 0 O-C-N 121.411 -1.052 . . . . 0.0 108.629 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' CG ' ' H ' ' A' ' 92' ' ' CYS . 25.1 t0 -46.27 142.48 2.89 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.36 0.6 . . . . 0.0 110.349 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.86 -29.84 21.32 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.716 -0.615 . . . . 0.0 109.756 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -96.77 -7.12 34.57 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.2 -0.937 . . . . 0.0 109.527 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.94 157.34 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.14 -0.975 . . . . 0.0 109.717 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -78.0 161.5 27.44 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.299 -0.875 . . . . 0.0 108.886 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.0 t -135.4 144.87 46.8 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.117 -0.989 . . . . 0.0 109.808 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.49 143.53 30.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.298 -0.876 . . . . 0.0 109.157 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.35 15.34 4.55 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.292 -0.88 . . . . 0.0 109.338 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -53.71 171.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.402 -0.811 . . . . 0.0 109.664 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -54.55 131.1 42.18 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.291 -0.88 . . . . 0.0 109.535 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -149.87 -4.43 0.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.25 -0.906 . . . . 0.0 109.381 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 157.06 8.22 0.06 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.7 m -162.28 -144.28 0.09 Allowed 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.182 -1.187 . . . . 0.0 109.444 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -143.21 65.52 1.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.292 -0.88 . . . . 0.0 109.44 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 128.24 -57.19 0.72 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -176.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.268 -1.137 . . . . 0.0 109.616 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? 65.62 123.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 16.8 mm -137.28 109.18 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 121.03 -1.044 . . . . 0.0 109.809 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.58 159.48 20.64 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.203 -0.936 . . . . 0.0 108.724 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.8 m -136.49 139.13 42.08 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.064 -1.023 . . . . 0.0 109.44 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.75 88.77 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.315 -0.865 . . . . 0.0 109.234 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.6 m -72.74 94.82 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.228 -0.92 . . . . 0.0 109.67 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.7 t -111.97 35.17 3.83 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.334 -0.854 . . . . 0.0 108.986 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 144.62 29.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 O-C-N 121.407 -0.808 . . . . 0.0 109.35 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.402 ' C ' ' H ' ' A' ' 83' ' ' SER . 5.5 Cg_exo -46.32 131.27 14.8 Favored 'Trans proline' 0 N--CA 1.475 0.39 0 C-N-CA 123.687 2.925 . . . . 0.0 108.654 178.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.74 -17.8 0.33 Allowed 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.555 -0.716 . . . . 0.0 111.02 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 81' ' ' PRO . 24.6 p -58.68 106.22 0.38 Allowed 'General case' 0 CA--C 1.532 0.272 0 O-C-N 120.395 -1.441 . . . . 0.0 109.112 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -129.03 92.02 40.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 O-C-N 121.18 -0.95 . . . . 0.0 109.247 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -32.73 111.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.482 0.832 1 C-N-CA 125.547 4.165 . . . . 0.0 111.487 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.0 mt -80.49 -37.74 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CD2' ' CD2' ' A' ' 31' ' ' LEU . 6.6 m-85 -106.18 -105.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.02 22.86 9.47 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.772 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.4 -19.4 7.16 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 119.58 -1.295 . . . . 0.0 110.53 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.447 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 2.7 pt -63.45 -28.76 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 120.997 -1.296 . . . . 0.0 109.788 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.447 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 9.2 m-85 -132.69 105.61 7.28 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.031 -1.043 . . . . 0.0 109.592 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.409 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 64.3 m -125.65 89.6 3.06 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.207 -0.933 . . . . 0.0 109.392 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.2 m -154.59 -49.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.252 -0.905 . . . . 0.0 109.366 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.8 t -99.68 152.39 20.13 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.254 -0.904 . . . . 0.0 109.326 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.88 -167.65 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.219 -0.926 . . . . 0.0 109.548 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.438 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.8 mm -100.45 131.6 47.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 O-C-N 121.281 -0.887 . . . . 0.0 109.424 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -78.61 -110.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.342 -0.849 . . . . 0.0 109.509 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.44 ' C ' ' H ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -102.72 -168.12 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.229 -0.919 . . . . 0.0 109.504 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER 69.98 -9.64 0.7 Allowed 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.456 -0.778 . . . . 0.0 110.022 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.44 ' H ' ' C ' ' A' ' 4' ' ' GLN . 7.4 tt0 -62.2 104.18 0.46 Allowed 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.939 -1.101 . . . . 0.0 109.367 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 57.8 m -89.39 -107.58 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.352 -0.843 . . . . 0.0 109.389 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.419 HG11 ' H ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER 178.83 -45.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 O-C-N 121.248 -0.907 . . . . 0.0 109.447 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' H ' HG11 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -178.27 58.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.281 -0.887 . . . . 0.0 109.348 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' NZ ' ' CG ' ' A' ' 26' ' ' GLU . 17.0 mtpp -101.63 129.69 47.8 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.262 -0.899 . . . . 0.0 109.549 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.51 64.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.347 -0.846 . . . . 0.0 109.162 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 m -61.41 173.35 0.78 Allowed Pre-proline 0 C--N 1.33 -0.26 0 O-C-N 121.161 -0.962 . . . . 0.0 108.91 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -86.92 162.98 8.94 Favored 'Trans proline' 0 N--CA 1.478 0.597 1 C-N-CA 125.337 4.025 . . . . 0.0 110.324 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.1 172.25 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.288 -0.883 . . . . 0.0 109.443 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.421 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.9 OUTLIER 56.3 22.57 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.245 -0.91 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -162.4 128.23 3.45 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.259 -0.9 . . . . 0.0 109.772 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.18 -161.27 20.65 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.98 148.44 43.54 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.087 -1.243 . . . . 0.0 109.737 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.493 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 32.8 t80 -154.87 139.34 16.83 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.281 -0.887 . . . . 0.0 109.462 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -90.8 118.8 30.5 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.298 -0.876 . . . . 0.0 109.303 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 21' ' ' HIS . 20.4 m170 -54.28 145.46 17.67 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.28 -0.887 . . . . 0.0 109.497 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.403 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 7.2 mp -67.15 -0.86 3.67 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.36 -0.837 . . . . 0.0 109.62 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -105.57 40.94 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.208 -0.933 . . . . 0.0 109.461 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 63.02 2.76 1.09 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.478 -0.764 . . . . 0.0 110.238 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -94.31 177.57 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 120.923 -1.11 . . . . 0.0 108.963 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' CG ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -163.12 150.4 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.23 -0.919 . . . . 0.0 109.375 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -173.95 -178.76 1.58 Allowed 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.246 -0.909 . . . . 0.0 109.636 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.3 m -96.38 127.55 42.48 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.327 -0.858 . . . . 0.0 109.778 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 5.9 tttp -113.73 156.57 23.56 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 1.1 m -77.32 160.36 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.825 -1.172 . . . . 0.0 109.609 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.73 -165.37 0.62 Allowed 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.291 -0.88 . . . . 0.0 109.714 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.48 158.37 36.18 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.392 -0.817 . . . . 0.0 109.392 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 m120 59.49 15.99 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.285 -0.884 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 15' ' ' ASN . 17.4 m-85 -132.1 120.55 22.48 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.355 -0.841 . . . . 0.0 109.412 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 -172.81 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.187 -0.945 . . . . 0.0 109.45 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -106.69 156.87 18.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.648 -0.658 . . . . 0.0 109.35 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.05 100.09 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.205 -0.935 . . . . 0.0 109.564 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.77 -89.04 1.34 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.57 -3.85 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.239 -1.154 . . . . 0.0 109.488 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.86 147.94 50.02 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.22 -0.925 . . . . 0.0 109.243 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.1 m -81.18 142.51 33.14 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.138 -0.976 . . . . 0.0 109.316 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.9 m -117.17 179.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 O-C-N 121.245 -0.91 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.98 139.71 34.4 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.374 -0.829 . . . . 0.0 109.436 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.427 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 4.0 t-20 -116.42 128.46 25.98 Favored Pre-proline 0 CA--C 1.537 0.455 0 O-C-N 121.2 -0.938 . . . . 0.0 109.581 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 19.3 Cg_endo -91.65 -16.24 1.27 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 124.856 3.704 . . . . 0.0 109.983 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.53 89.44 6.82 Favored Pre-proline 0 CA--C 1.532 0.278 0 O-C-N 121.382 -0.824 . . . . 0.0 109.194 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -88.31 137.36 3.64 Favored 'Trans proline' 0 N--CA 1.48 0.685 0 C-N-CA 125.28 3.987 . . . . 0.0 110.598 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.1 t -124.81 -168.56 1.84 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.277 -0.89 . . . . 0.0 109.272 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' C ' ' H ' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -111.95 -27.55 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.221 -0.925 . . . . 0.0 109.003 179.724 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -67.64 -1.8 5.78 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.24 -0.913 . . . . 0.0 108.685 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 49' ' ' CYS . 7.4 pt-20 -94.13 50.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.82 70.87 0.24 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.169 0.509 . . . . 0.0 110.654 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 11.0 t-20 59.64 78.64 0.26 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.794 0.807 . . . . 0.0 109.191 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.37 -49.38 61.34 Favored Glycine 0 CA--C 1.519 0.326 0 N-CA-C 107.832 -2.107 . . . . 0.0 107.832 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -144.89 0.47 1.0 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 107.583 -2.207 . . . . 0.0 107.583 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASP . 58.3 m -111.31 114.49 27.71 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.601 -0.941 . . . . 0.0 109.107 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' CYS . 5.9 t0 -30.15 138.48 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.308 0.575 . . . . 0.0 111.691 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.19 -33.22 57.63 Favored 'General case' 0 C--N 1.333 -0.152 0 O-C-N 121.439 -0.788 . . . . 0.0 109.181 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.3 -10.79 48.35 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.316 -0.865 . . . . 0.0 108.974 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.85 163.78 16.24 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.334 -0.854 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 144.36 26.36 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.366 -0.834 . . . . 0.0 109.21 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.6 t -115.14 142.03 47.21 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.158 -0.964 . . . . 0.0 109.45 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.73 141.51 47.56 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.211 -0.931 . . . . 0.0 109.504 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.86 7.6 4.06 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.292 -0.88 . . . . 0.0 109.47 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -54.13 165.2 0.53 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.277 -0.889 . . . . 0.0 109.579 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -55.21 141.57 34.7 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.337 -0.852 . . . . 0.0 109.43 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.1 m -160.21 -132.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.248 -0.907 . . . . 0.0 109.371 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.94 -106.78 2.72 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.28 179.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.249 -1.147 . . . . 0.0 109.432 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -104.73 -43.72 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.239 -0.913 . . . . 0.0 109.422 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -119.68 -115.93 2.56 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -58.37 137.27 57.35 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.349 -1.089 . . . . 0.0 109.362 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -97.44 106.25 18.53 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.284 -0.885 . . . . 0.0 109.444 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.01 129.43 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.262 -0.899 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.3 151.71 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.222 -0.924 . . . . 0.0 109.406 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.77 142.05 51.46 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.285 -0.884 . . . . 0.0 109.609 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -140.68 106.56 5.16 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.35 -0.844 . . . . 0.0 109.19 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.5 m -71.55 145.25 49.21 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.348 -0.845 . . . . 0.0 109.617 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -120.69 31.58 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.326 -0.859 . . . . 0.0 109.304 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -105.02 169.53 7.01 Favored Pre-proline 0 C--N 1.33 -0.281 0 O-C-N 121.339 -0.851 . . . . 0.0 109.375 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -90.56 135.94 2.16 Favored 'Trans proline' 0 N--CA 1.477 0.554 1 C-N-CA 125.417 4.078 . . . . 0.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.17 6.34 3.5 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.244 -0.91 . . . . 0.0 109.552 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.43 127.92 47.87 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.278 -0.889 . . . . 0.0 109.473 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.466 ' H ' ' N ' ' A' ' 93' ' ' SER . 33.2 m-85 -144.59 139.51 15.58 Favored Pre-proline 0 CA--C 1.533 0.308 0 O-C-N 121.298 -0.876 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -35.28 138.55 0.13 Allowed 'Trans proline' 0 N--CA 1.483 0.871 1 C-N-CA 125.516 4.144 . . . . 0.0 110.603 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.0 mt -103.44 -58.87 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.218 -0.926 . . . . 0.0 109.545 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.407 ' CD2' HD13 ' A' ' 90' ' ' ILE . 87.3 m-85 -97.79 -13.63 21.24 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.172 -0.955 . . . . 0.0 109.533 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.6 -45.74 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.87 -0.42 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.413 HD13 ' CE2' ' A' ' 91' ' ' PHE . 13.9 pt -68.55 -36.48 74.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 121.273 -1.134 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.493 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 11.1 m-85 -131.0 143.7 50.92 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.281 -0.887 . . . . 0.0 109.315 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.75 119.04 34.22 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.466 ' N ' ' H ' ' A' ' 84' ' ' TYR . 7.2 t -174.07 -121.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.228 -0.92 . . . . 0.0 109.44 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 m -156.32 144.97 20.1 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.237 -0.915 . . . . 0.0 109.488 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.6 t -126.41 -80.79 0.61 Allowed 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.282 -0.886 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.4 179.942 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 33.4 m120 . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 mm -105.48 27.1 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 O-C-N 121.282 -0.887 . . . . 0.0 109.385 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -135.7 67.13 1.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.357 -0.84 . . . . 0.0 109.394 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -148.09 -41.6 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.308 -0.87 . . . . 0.0 109.358 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.476 ' CD2' ' H ' ' A' ' 5' ' ' HIS . 0.4 OUTLIER -89.03 8.94 27.16 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.222 -0.924 . . . . 0.0 109.399 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -96.98 31.6 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.237 -0.915 . . . . 0.0 109.433 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p 35.1 -151.52 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.187 0.517 . . . . 0.0 111.378 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 t -139.76 -93.82 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 O-C-N 121.096 -1.002 . . . . 0.0 109.513 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -114.23 74.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.144 -0.972 . . . . 0.0 109.338 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.59 162.75 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.293 -0.88 . . . . 0.0 109.676 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.19 9.02 37.81 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.343 -0.848 . . . . 0.0 109.283 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 10.5 t -54.51 139.91 57.85 Favored Pre-proline 0 CA--C 1.538 0.485 0 O-C-N 121.322 -0.861 . . . . 0.0 109.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 29.4 Cg_endo -90.19 177.65 2.37 Favored 'Trans proline' 0 N--CA 1.48 0.717 0 C-N-CA 124.67 3.58 . . . . 0.0 110.881 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -62.98 175.97 0.78 Allowed 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.372 -0.83 . . . . 0.0 109.178 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 55.31 22.08 4.58 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 121.243 -0.911 . . . . 0.0 108.828 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.3 t -158.55 123.92 4.37 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.46 -0.775 . . . . 0.0 109.14 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.74 167.09 17.13 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -97.56 163.23 12.93 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.116 -1.226 . . . . 0.0 109.712 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -152.69 100.87 2.58 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.278 -0.889 . . . . 0.0 109.535 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 4.0 ttt180 -99.25 79.0 2.27 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.183 -0.948 . . . . 0.0 109.129 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.409 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 91.7 m-70 -154.36 139.39 17.35 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.255 -0.903 . . . . 0.0 110.099 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 67.58 0.74 2.31 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.648 -0.658 . . . . 0.0 110.156 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -129.64 -3.31 4.77 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.04 -1.037 . . . . 0.0 109.343 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 54.51 22.74 4.08 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.353 -0.842 . . . . 0.0 108.849 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.07 154.09 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.564 -0.71 . . . . 0.0 109.099 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.21 122.4 28.35 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.245 -0.909 . . . . 0.0 110.034 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.53 166.72 10.21 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.2 t -123.12 97.61 5.5 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.086 -1.009 . . . . 0.0 109.45 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -104.79 141.85 35.76 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.385 -0.822 . . . . 0.0 109.059 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.8 m -63.5 154.88 31.02 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.146 -0.972 . . . . 0.0 109.818 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.9 mt -69.51 -167.45 0.13 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.3 -0.875 . . . . 0.0 109.546 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.61 157.14 37.2 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 121.271 -0.893 . . . . 0.0 109.388 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.1 14.32 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.291 -0.88 . . . . 0.0 109.358 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -126.17 116.38 21.24 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.375 -0.828 . . . . 0.0 109.213 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.02 -179.35 4.02 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.168 -0.958 . . . . 0.0 109.397 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -104.05 142.3 34.7 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.385 -0.822 . . . . 0.0 109.46 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -157.83 87.19 0.93 Allowed 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.25 -0.906 . . . . 0.0 109.525 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.63 -105.96 3.36 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.45 5.04 5.66 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.177 -1.19 . . . . 0.0 109.426 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -138.89 130.44 27.35 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.235 -0.916 . . . . 0.0 109.217 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.1 m -71.09 136.27 48.15 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.301 -0.875 . . . . 0.0 109.587 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.0 m -108.33 -179.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 O-C-N 121.253 -0.905 . . . . 0.0 109.858 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.95 127.27 32.39 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.549 -0.72 . . . . 0.0 109.33 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 2.0 t-20 -110.88 123.63 34.96 Favored Pre-proline 0 CA--C 1.535 0.401 0 O-C-N 121.274 -0.891 . . . . 0.0 109.372 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.6 Cg_endo -90.75 -15.6 1.69 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 124.735 3.623 . . . . 0.0 110.303 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -132.97 85.14 46.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.278 -0.889 . . . . 0.0 109.723 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -91.44 167.02 3.46 Favored 'Trans proline' 0 N--CA 1.476 0.486 1 C-N-CA 125.624 4.216 . . . . 0.0 109.904 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.5 t -152.7 179.5 8.57 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.117 -0.99 . . . . 0.0 109.883 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 m -111.5 -29.51 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -57.95 -17.99 20.54 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.402 -0.811 . . . . 0.0 108.826 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -74.0 66.63 1.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.0 p30 42.13 53.01 4.41 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.074 0.464 . . . . 0.0 111.301 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.477 HD21 ' HA ' ' A' ' 58' ' ' ALA . 6.8 t30 62.61 65.84 0.81 Allowed 'General case' 0 N--CA 1.462 0.169 0 O-C-N 120.923 -1.11 . . . . 0.0 108.874 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.38 -51.11 5.08 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.79 -19.76 78.67 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.65 154.76 24.44 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.0 -1.294 . . . . 0.0 110.417 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.431 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -55.29 -94.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.373 -0.83 . . . . 0.0 109.823 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.477 ' HA ' HD21 ' A' ' 53' ' ' ASN . . . -154.15 -15.35 0.13 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.334 -0.854 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.74 -17.6 6.82 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.292 -0.88 . . . . 0.0 109.484 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.99 178.78 2.55 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.272 -0.892 . . . . 0.0 109.427 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.67 124.62 49.19 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.273 -0.892 . . . . 0.0 109.592 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.92 157.91 15.89 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.423 -0.798 . . . . 0.0 109.389 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.55 151.63 24.53 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.11 -0.994 . . . . 0.0 109.554 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -144.95 -4.36 0.74 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.169 -0.957 . . . . 0.0 109.559 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -76.66 137.96 39.75 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.239 -0.913 . . . . 0.0 109.508 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t0 63.0 153.94 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.422 -0.799 . . . . 0.0 109.802 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.44 -83.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.217 -0.927 . . . . 0.0 109.429 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.9 -135.62 1.85 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.91 160.33 43.37 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.198 -1.177 . . . . 0.0 109.405 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 m120 63.61 68.3 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.167 -0.958 . . . . 0.0 109.367 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.61 116.33 3.42 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.449 ' H ' ' HD3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -57.75 176.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.275 -1.133 . . . . 0.0 109.426 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -153.34 163.69 39.47 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.238 -0.914 . . . . 0.0 109.377 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mm -130.33 154.02 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 121.289 -0.882 . . . . 0.0 109.481 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.54 151.63 51.86 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.255 -0.903 . . . . 0.0 109.512 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.1 m -154.21 145.83 23.25 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.239 -0.913 . . . . 0.0 109.22 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -151.11 118.75 6.1 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.232 -0.917 . . . . 0.0 109.75 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 91.62 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -81.84 -10.89 59.19 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.319 -0.863 . . . . 0.0 110.077 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 174.31 0.21 Allowed Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.206 -0.934 . . . . 0.0 109.446 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -88.83 -52.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.478 0.569 1 C-N-CA 125.453 4.102 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -79.68 14.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.355 -0.841 . . . . 0.0 108.97 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 p -79.82 126.73 31.36 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.502 -0.749 . . . . 0.0 109.453 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -142.42 75.1 19.67 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.348 -0.845 . . . . 0.0 109.332 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -30.6 144.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.484 0.94 1 C-N-CA 126.14 4.56 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.6 mt -114.84 -53.87 2.61 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.252 -0.905 . . . . 0.0 109.71 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.402 ' O ' ' CB ' ' A' ' 88' ' ' ASP . 59.5 m-85 -102.78 -11.7 18.14 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.223 -0.923 . . . . 0.0 109.579 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER 166.0 -39.64 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 164.07 11.11 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.404 HG13 ' CD2' ' A' ' 91' ' ' PHE . 3.2 pt -88.72 5.02 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 O-C-N 121.201 -1.176 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.404 ' CD2' HG13 ' A' ' 90' ' ' ILE . 75.8 m-85 -151.87 49.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.312 -0.868 . . . . 0.0 109.522 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.4 121.8 25.61 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.144 -0.973 . . . . 0.0 109.471 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.89 158.17 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.207 -0.933 . . . . 0.0 109.56 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.3 -160.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.315 -0.866 . . . . 0.0 109.225 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.7 t -162.44 -0.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.221 -0.924 . . . . 0.0 109.349 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.375 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 49.9 t30 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.5 139.32 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.243 -0.911 . . . . 0.0 109.468 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 t -76.64 138.36 40.02 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.268 -0.895 . . . . 0.0 109.424 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -143.7 -26.09 0.56 Allowed 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.318 -0.864 . . . . 0.0 109.307 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -71.75 -7.18 46.54 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.298 -0.876 . . . . 0.0 109.634 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 58.79 -94.24 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.311 -0.868 . . . . 0.0 109.463 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 62.37 113.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 109.819 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.454 ' CG2' ' H ' ' A' ' 9' ' ' LYS . 2.5 p -160.47 -172.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 O-C-N 121.071 -1.018 . . . . 0.0 109.427 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' H ' ' CG2' ' A' ' 8' ' ' VAL . 10.3 tttm 56.94 20.8 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.253 -0.904 . . . . 0.0 109.423 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' HZ3' ' HB3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -165.07 169.24 16.49 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.312 -0.868 . . . . 0.0 109.425 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -127.23 -179.58 4.95 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.271 -0.893 . . . . 0.0 109.578 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 t -151.88 138.04 11.56 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -77.4 -173.92 1.99 Allowed 'Trans proline' 0 N--CA 1.485 0.988 0 C-N-CA 124.098 3.199 . . . . 0.0 110.789 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -77.76 173.28 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 55.35 24.7 6.81 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 121.163 -0.961 . . . . 0.0 108.549 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.6 p -160.32 133.43 6.68 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.585 -0.697 . . . . 0.0 109.202 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.27 167.53 12.71 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.53 162.87 17.82 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.099 -1.236 . . . . 0.0 109.862 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -169.42 119.8 0.68 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.37 -0.831 . . . . 0.0 109.219 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttt-85 -74.25 120.86 20.4 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.235 -0.916 . . . . 0.0 109.159 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -54.64 142.11 29.42 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.211 -0.931 . . . . 0.0 109.361 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' H ' ' CD1' ' A' ' 22' ' ' LEU . 6.3 mp -66.9 -1.79 4.43 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.353 -0.842 . . . . 0.0 109.489 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -103.36 30.72 4.75 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.277 -0.889 . . . . 0.0 109.348 179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.48 -12.06 0.86 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.193 0.52 . . . . 0.0 109.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' H ' ' C ' ' A' ' 23' ' ' ASP . 3.8 ttt180 -75.93 174.57 9.78 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.054 -1.029 . . . . 0.0 109.477 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HB3' ' HZ3' ' A' ' 10' ' ' LYS . 28.6 mt-10 -140.1 132.58 28.58 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.227 -0.921 . . . . 0.0 109.53 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -159.85 162.67 34.72 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.269 -0.895 . . . . 0.0 109.401 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.43 126.42 55.32 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.255 -0.903 . . . . 0.0 109.004 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -99.44 174.65 6.17 Favored 'General case' 0 C--O 1.225 -0.199 0 O-C-N 121.321 -0.862 . . . . 0.0 109.238 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.82 170.0 17.27 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.046 -1.034 . . . . 0.0 110.241 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.445 ' CD2' ' CD2' ' A' ' 87' ' ' PHE . 9.1 mt -76.72 -166.28 0.65 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.296 -0.878 . . . . 0.0 109.749 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.18 159.35 31.7 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.326 -0.859 . . . . 0.0 109.738 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 m120 56.99 16.17 2.7 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.496 -0.753 . . . . 0.0 109.92 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -117.33 179.98 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.226 -0.922 . . . . 0.0 109.039 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -157.73 -174.76 5.01 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.337 -0.852 . . . . 0.0 108.96 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -117.95 135.02 54.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.481 -0.762 . . . . 0.0 109.517 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -144.35 71.94 1.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.376 -0.827 . . . . 0.0 109.378 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.52 -103.79 2.5 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -124.67 1.11 8.19 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.259 -1.142 . . . . 0.0 109.412 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -133.15 135.63 45.27 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.202 -0.936 . . . . 0.0 109.224 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.3 m -74.01 151.48 40.25 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.095 -1.003 . . . . 0.0 109.549 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.8 m -129.58 164.28 32.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 121.181 -0.949 . . . . 0.0 109.793 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.81 148.71 19.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.359 -0.838 . . . . 0.0 109.399 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.471 HD21 ' CD ' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -120.84 112.9 33.38 Favored Pre-proline 0 CA--C 1.536 0.423 0 O-C-N 121.312 -0.867 . . . . 0.0 109.527 -179.757 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.471 ' CD ' HD21 ' A' ' 44' ' ' ASN . 12.8 Cg_endo -89.64 -23.35 0.78 Allowed 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 124.928 3.752 . . . . 0.0 109.916 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.431 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 29.4 m120 -133.02 84.53 48.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 121.391 -0.818 . . . . 0.0 109.073 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -90.5 146.98 4.17 Favored 'Trans proline' 0 N--CA 1.477 0.513 1 C-N-CA 125.551 4.167 . . . . 0.0 110.71 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -153.58 -151.55 0.38 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.354 -0.841 . . . . 0.0 108.995 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.402 ' C ' ' H ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -116.5 -34.16 4.66 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.045 -1.034 . . . . 0.0 108.644 179.476 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -69.84 2.86 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.53 -0.731 . . . . 0.0 109.361 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 49' ' ' CYS . 6.4 pt-20 -98.32 52.31 1.03 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.174 -0.954 . . . . 0.0 108.771 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 42.57 69.83 0.34 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.536 0.684 . . . . 0.0 109.691 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.463 HD21 ' N ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER 61.18 93.09 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 122.25 1.024 . . . . 0.0 108.889 -179.256 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.55 -32.34 54.8 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 107.789 -2.124 . . . . 0.0 107.789 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.53 7.38 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 107.461 -2.256 . . . . 0.0 107.461 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.463 ' N ' HD21 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -105.74 71.55 0.92 Allowed 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.565 -0.962 . . . . 0.0 110.575 -179.788 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 30.2 -92.55 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.492 0.663 . . . . 0.0 112.227 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -160.25 -19.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.185 -0.947 . . . . 0.0 108.878 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.01 -9.82 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.8 147.14 50.81 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.391 -0.818 . . . . 0.0 109.154 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 125.56 30.58 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.257 -0.902 . . . . 0.0 109.481 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.39 135.88 41.13 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.453 -0.779 . . . . 0.0 108.953 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.78 142.76 51.45 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.147 -0.97 . . . . 0.0 109.85 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.91 0.03 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.334 -0.854 . . . . 0.0 109.42 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.39 179.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.303 -0.873 . . . . 0.0 109.708 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.1 t0 56.57 16.99 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.391 -0.818 . . . . 0.0 109.838 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.466 ' CB ' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -142.05 142.22 32.84 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.247 -0.908 . . . . 0.0 109.448 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 153.28 83.75 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -177.29 -109.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.278 -1.13 . . . . 0.0 109.431 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -100.2 42.76 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.226 -0.921 . . . . 0.0 109.466 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 145.24 98.15 0.23 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -76.57 140.29 41.02 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.284 -1.127 . . . . 0.0 109.437 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.466 ' H ' ' CB ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -104.9 161.98 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.285 -0.884 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mm -142.46 114.0 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 O-C-N 121.304 -0.873 . . . . 0.0 109.532 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.2 152.14 23.86 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.304 -0.873 . . . . 0.0 109.216 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -130.04 140.62 50.83 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.232 -0.918 . . . . 0.0 109.782 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -143.07 121.1 12.08 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.419 -0.801 . . . . 0.0 109.089 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 106.85 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.184 -0.947 . . . . 0.0 109.517 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.7 t -78.93 43.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.295 -0.878 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.95 168.62 9.93 Favored Pre-proline 0 CA--C 1.532 0.281 0 O-C-N 121.244 -0.91 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -87.28 -48.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.658 0 C-N-CA 125.197 3.931 . . . . 0.0 110.107 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.04 16.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.235 -0.916 . . . . 0.0 109.059 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 p -66.27 116.15 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.397 -0.815 . . . . 0.0 109.545 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -139.2 69.33 40.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 121.293 -0.88 . . . . 0.0 109.18 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -31.07 111.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.48 0.686 1 C-N-CA 126.336 4.691 . . . . 0.0 111.142 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.6 mt -75.0 -35.25 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.445 ' CD2' ' CD2' ' A' ' 31' ' ' LEU . 6.7 m-85 -109.75 -107.14 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -116.76 25.61 10.43 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 121.685 -0.635 . . . . 0.0 109.617 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.85 -19.33 12.3 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 119.716 -1.23 . . . . 0.0 110.24 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.45 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 0.3 OUTLIER -65.39 -5.43 2.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 O-C-N 120.998 -1.295 . . . . 0.0 109.737 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.45 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 40.7 m-85 -139.84 79.77 1.73 Allowed 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.02 -1.05 . . . . 0.0 109.737 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 20.3 m -90.21 100.13 13.02 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.196 -0.94 . . . . 0.0 109.109 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.3 156.48 3.2 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.279 -0.888 . . . . 0.0 109.697 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.78 -27.6 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.371 -0.831 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 t 59.7 47.06 10.92 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.196 -0.94 . . . . 0.0 109.315 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.479 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.299 0.571 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.448 HG22 HD11 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -133.87 -176.08 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 121.26 -0.9 . . . . 0.0 109.426 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 p -162.21 47.83 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.272 -0.892 . . . . 0.0 109.456 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -95.32 -107.94 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.188 -0.945 . . . . 0.0 109.365 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.448 ' HD1' ' HA ' ' A' ' 94' ' ' SER . 32.9 p-80 -74.36 -16.09 60.91 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.296 -0.877 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.48 10.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.241 -0.912 . . . . 0.0 109.272 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.412 ' H ' ' C ' ' A' ' 5' ' ' HIS . 77.8 m 58.45 172.52 0.06 Allowed 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.368 -0.832 . . . . 0.0 109.616 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 t -99.71 -79.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 O-C-N 121.181 -0.949 . . . . 0.0 109.599 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -112.08 -87.81 0.54 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.222 -0.924 . . . . 0.0 109.482 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HG2' ' H ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER 56.77 -135.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.217 -0.927 . . . . 0.0 109.411 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.458 ' H ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -161.4 -90.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.253 -0.905 . . . . 0.0 109.596 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 13.7 t 65.83 126.12 0.03 OUTLIER Pre-proline 0 CA--C 1.54 0.571 0 O-C-N 121.68 -0.638 . . . . 0.0 109.314 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 29.4 Cg_endo -87.34 177.42 3.83 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 124.387 3.392 . . . . 0.0 110.604 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -62.19 178.44 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.29 -0.881 . . . . 0.0 109.325 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 55.22 22.44 4.71 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.268 -0.895 . . . . 0.0 109.09 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -160.5 125.83 3.89 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.3 -0.875 . . . . 0.0 109.528 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.52 169.3 21.31 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 109.286 -1.525 . . . . 0.0 109.286 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.66 173.07 7.09 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.071 -1.252 . . . . 0.0 109.888 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -169.92 110.82 0.43 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.325 -0.859 . . . . 0.0 109.003 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 13.2 ttt-85 -113.0 77.93 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.14 -0.975 . . . . 0.0 109.633 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.553 ' CD2' ' HG ' ' A' ' 93' ' ' SER . 85.9 m-70 -154.85 163.02 40.88 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.229 -0.92 . . . . 0.0 110.156 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 70.91 -40.0 0.46 Allowed 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.881 -0.512 . . . . 0.0 110.565 179.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 21' ' ' HIS . 0.8 OUTLIER -108.58 5.54 25.14 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 120.909 -1.119 . . . . 0.0 109.417 -179.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 54.93 22.52 4.38 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.376 -0.828 . . . . 0.0 108.889 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -140.51 148.1 40.54 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.498 -0.751 . . . . 0.0 109.345 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.08 143.34 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.285 -0.885 . . . . 0.0 109.638 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -139.46 166.28 25.0 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.308 -0.87 . . . . 0.0 109.306 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -124.62 92.36 3.64 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.132 -0.98 . . . . 0.0 109.51 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -87.03 155.76 20.02 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -77.26 152.38 34.67 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 120.853 -1.155 . . . . 0.0 109.81 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.444 ' CD2' ' CD1' ' A' ' 87' ' ' PHE . 6.5 mt -59.45 -167.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.422 -0.799 . . . . 0.0 109.782 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mt -77.91 163.88 25.62 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.256 -0.903 . . . . 0.0 109.169 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 57.82 17.32 4.13 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.22 -0.925 . . . . 0.0 109.428 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -122.71 177.7 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.309 -0.87 . . . . 0.0 109.333 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.09 -179.06 7.53 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.323 -0.86 . . . . 0.0 108.818 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -123.86 134.45 53.57 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.307 -0.871 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 65.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.313 -0.867 . . . . 0.0 109.206 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.04 -101.51 1.27 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.9 -0.56 5.96 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.244 -1.151 . . . . 0.0 109.335 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -128.84 131.88 47.73 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.247 -0.908 . . . . 0.0 109.222 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.9 m -79.59 151.55 30.57 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.191 -0.943 . . . . 0.0 109.646 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.9 m -131.46 170.11 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 121.191 -0.943 . . . . 0.0 109.826 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.0 145.68 40.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.357 -0.839 . . . . 0.0 109.752 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.11 67.76 75.07 Favored Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 121.314 -0.866 . . . . 0.0 109.559 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -34.34 -33.72 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.769 1 C-N-CA 126.013 4.475 . . . . 0.0 110.455 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -131.07 91.58 35.79 Favored Pre-proline 0 CA--C 1.532 0.258 0 O-C-N 121.363 -0.836 . . . . 0.0 109.404 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -87.33 169.73 7.08 Favored 'Trans proline' 0 N--CA 1.48 0.677 0 C-N-CA 125.147 3.898 . . . . 0.0 110.168 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.6 t -155.97 -175.31 5.36 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.229 -0.919 . . . . 0.0 109.659 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.3 m -111.05 -30.69 7.39 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -18.37 14.58 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 121.384 -0.822 . . . . 0.0 109.042 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -74.04 66.39 1.2 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.464 -0.772 . . . . 0.0 108.934 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.9 p30 42.08 53.44 4.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.123 0.487 . . . . 0.0 111.23 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.496 HD21 ' CA ' ' A' ' 58' ' ' ALA . 7.1 t30 62.34 67.41 0.73 Allowed 'General case' 0 N--CA 1.463 0.184 0 O-C-N 120.936 -1.102 . . . . 0.0 108.945 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.01 -49.18 5.14 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 108.711 -1.756 . . . . 0.0 108.711 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.71 -21.34 77.02 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.413 ' HB3' HD22 ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.86 152.87 27.44 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 121.132 -1.217 . . . . 0.0 110.177 -179.804 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.424 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -52.8 -92.3 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 O-C-N 121.452 -0.78 . . . . 0.0 109.918 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.496 ' CA ' HD21 ' A' ' 53' ' ' ASN . . . -151.89 -27.99 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.268 -0.895 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -113.28 -12.06 13.12 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.243 -0.911 . . . . 0.0 109.421 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.43 177.93 2.66 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.267 -0.895 . . . . 0.0 109.391 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 120.81 41.93 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.126 -0.984 . . . . 0.0 109.658 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.94 151.5 19.36 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.273 -0.892 . . . . 0.0 109.243 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.37 152.36 35.65 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.07 -1.019 . . . . 0.0 109.5 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -145.05 -18.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.272 -0.893 . . . . 0.0 109.574 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -73.32 173.48 9.46 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.178 -0.951 . . . . 0.0 109.511 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t0 53.09 -169.39 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.464 -0.773 . . . . 0.0 109.747 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.25 -171.24 0.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.311 -0.868 . . . . 0.0 109.427 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.5 143.43 6.16 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.07 -54.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.292 -1.122 . . . . 0.0 109.394 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -105.29 -55.9 2.26 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.19 -0.944 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.08 -112.53 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -70.7 125.65 27.42 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.223 -1.163 . . . . 0.0 109.355 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.4 139.97 49.05 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.164 -0.96 . . . . 0.0 109.519 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -137.33 142.25 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 121.261 -0.899 . . . . 0.0 109.276 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.34 162.71 28.45 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.188 -0.945 . . . . 0.0 109.455 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.95 140.31 9.16 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.211 -0.931 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -144.43 116.92 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.329 -0.857 . . . . 0.0 109.091 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -88.2 86.52 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.269 -0.894 . . . . 0.0 109.091 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.4 t -81.13 29.6 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.296 -0.877 . . . . 0.0 109.384 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' H ' ' C ' ' A' ' 78' ' ' CYS . 0.1 OUTLIER -91.75 176.41 2.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 121.306 -0.871 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.411 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 10.6 Cg_endo -86.68 136.46 4.47 Favored 'Trans proline' 0 N--CA 1.476 0.488 0 C-N-CA 125.265 3.977 . . . . 0.0 109.766 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 66.04 6.52 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.358 -0.839 . . . . 0.0 109.063 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 54.3 p -66.6 121.3 15.05 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.315 -0.866 . . . . 0.0 109.076 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 83' ' ' SER . 9.2 m-85 -143.33 79.47 14.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 O-C-N 121.247 -0.908 . . . . 0.0 109.447 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -30.66 117.17 0.06 OUTLIER 'Trans proline' 0 N--CA 1.482 0.804 1 C-N-CA 125.96 4.44 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.9 mt -75.95 -27.91 57.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.444 ' CD1' ' CD2' ' A' ' 31' ' ' LEU . 71.2 m-85 -121.0 -110.08 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.53 31.2 6.5 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.535 -0.728 . . . . 0.0 109.833 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.77 49.78 1.9 Allowed Glycine 0 CA--C 1.529 0.948 0 C-N-CA 119.656 -1.259 . . . . 0.0 110.149 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -129.45 1.54 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 O-C-N 121.158 -1.201 . . . . 0.0 109.036 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -153.71 39.87 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.385 -0.822 . . . . 0.0 109.331 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 m -67.0 111.55 3.89 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.248 -0.907 . . . . 0.0 109.355 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.553 ' HG ' ' CD2' ' A' ' 21' ' ' HIS . 33.2 t -175.37 158.13 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.195 -0.941 . . . . 0.0 109.521 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.448 ' HA ' ' HD1' ' A' ' 5' ' ' HIS . 6.9 t 176.42 0.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.359 -0.838 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.424 ' HG ' ' H ' ' A' ' 96' ' ' ASN . 3.0 p -104.26 -102.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.257 -0.902 . . . . 0.0 109.463 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.424 ' H ' ' HG ' ' A' ' 95' ' ' SER . 1.2 t-20 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.434 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.423 ' H1 ' ' H ' ' A' ' 2' ' ' ILE . 12.3 m120 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 121.328 0.585 . . . . 0.0 109.527 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.423 ' H ' ' H1 ' ' A' ' 1' ' ' ASN . 24.0 mm 55.26 79.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 O-C-N 121.236 -0.915 . . . . 0.0 109.445 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.62 -75.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.229 -0.92 . . . . 0.0 109.429 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -169.24 24.2 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.239 -0.913 . . . . 0.0 109.499 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.425 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 0.0 OUTLIER -61.69 -16.41 48.7 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.294 -0.879 . . . . 0.0 109.382 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -60.04 -13.71 12.93 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.238 -0.914 . . . . 0.0 109.564 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 m 57.12 177.64 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.28 -0.887 . . . . 0.0 109.592 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.02 -69.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 121.175 -0.953 . . . . 0.0 109.491 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 -2.69 12.45 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.283 -0.885 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HZ2' ' H ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -69.16 156.25 39.02 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.221 -0.924 . . . . 0.0 109.406 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -154.94 -23.63 0.12 Allowed 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.267 -0.896 . . . . 0.0 109.804 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.5 m 60.77 169.96 0.08 OUTLIER Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 121.163 -0.961 . . . . 0.0 109.087 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -85.94 169.69 8.87 Favored 'Trans proline' 0 N--CA 1.478 0.606 0 C-N-CA 125.064 3.843 . . . . 0.0 110.533 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -54.25 161.64 1.27 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.321 -0.862 . . . . 0.0 109.654 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 34' ' ' TYR . 4.7 m-80 62.59 25.79 15.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.301 -0.875 . . . . 0.0 109.529 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -162.57 141.22 8.82 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.144 -0.972 . . . . 0.0 109.924 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.02 -177.67 17.79 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.77 159.04 15.51 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.233 -1.157 . . . . 0.0 109.84 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -157.1 97.21 1.65 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -124.21 84.13 2.24 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.142 -0.974 . . . . 0.0 110.359 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.466 ' NE2' ' CZ ' ' A' ' 19' ' ' PHE . 5.6 p80 -175.63 -38.05 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.019 -1.05 . . . . 0.0 110.183 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.417 ' N ' ' CG ' ' A' ' 21' ' ' HIS . 6.0 mt -75.04 -5.17 42.64 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.084 -1.01 . . . . 0.0 109.687 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -142.99 11.09 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.294 -0.879 . . . . 0.0 108.838 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 54.78 20.0 2.83 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.412 -0.805 . . . . 0.0 109.365 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mtt85 -138.31 149.15 45.38 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.394 -0.816 . . . . 0.0 108.918 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -81.84 116.62 21.59 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.168 -0.957 . . . . 0.0 109.965 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.21 160.81 28.31 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.352 -0.843 . . . . 0.0 109.28 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 m -113.99 108.31 16.85 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.272 -0.892 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -93.8 172.48 8.22 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.253 -0.904 . . . . 0.0 108.958 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.482 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.2 m -97.62 150.76 20.8 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 120.895 -1.128 . . . . 0.0 109.239 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.412 HD23 ' CD2' ' A' ' 87' ' ' PHE . 68.7 mt -61.0 -164.73 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.082 -1.011 . . . . 0.0 109.725 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.13 167.21 22.28 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.144 -0.972 . . . . 0.0 109.619 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 56.73 19.19 4.19 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.206 -0.934 . . . . 0.0 109.276 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 23.7 m-85 -128.29 175.45 8.46 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.319 -0.863 . . . . 0.0 109.429 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.53 -172.7 3.81 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -115.46 140.68 48.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.43 -0.794 . . . . 0.0 109.484 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 -163.93 87.28 0.5 Allowed 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.221 -0.924 . . . . 0.0 109.384 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.56 -117.91 5.93 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -120.52 12.74 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.302 -1.117 . . . . 0.0 109.419 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -146.66 139.61 25.37 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.239 -0.913 . . . . 0.0 109.183 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.5 m -70.41 150.8 45.87 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.129 -0.982 . . . . 0.0 109.15 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.1 m -126.33 174.21 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 O-C-N 121.141 -0.974 . . . . 0.0 109.687 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.7 149.41 50.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.254 -0.903 . . . . 0.0 109.454 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.73 67.69 51.28 Favored Pre-proline 0 C--N 1.331 -0.234 0 O-C-N 121.23 -0.919 . . . . 0.0 109.687 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -34.54 -43.77 0.38 Allowed 'Trans proline' 0 N--CA 1.482 0.807 1 C-N-CA 125.954 4.436 . . . . 0.0 110.461 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -129.07 89.0 49.81 Favored Pre-proline 0 CA--C 1.533 0.289 0 O-C-N 121.318 -0.864 . . . . 0.0 109.105 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -88.99 143.46 4.89 Favored 'Trans proline' 0 N--CA 1.477 0.541 1 C-N-CA 125.399 4.066 . . . . 0.0 110.604 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 t -131.86 -163.98 1.4 Allowed 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.341 -0.85 . . . . 0.0 109.159 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.427 ' C ' ' H ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -112.45 -27.0 8.43 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.244 -0.91 . . . . 0.0 108.753 179.467 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.61 1.82 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.1 pt-20 -100.82 51.03 0.87 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 p30 41.56 72.12 0.18 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.285 0.564 . . . . 0.0 110.389 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.458 HD21 ' C ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER 61.68 89.48 0.08 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 122.598 1.189 . . . . 0.0 108.425 -179.675 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.81 35.13 4.58 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 107.973 -2.051 . . . . 0.0 107.973 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.67 -11.55 7.04 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 107.981 -2.048 . . . . 0.0 107.981 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.458 ' C ' HD21 ' A' ' 53' ' ' ASN . 62.4 m -111.09 128.74 55.97 Favored 'General case' 0 C--O 1.23 0.077 0 O-C-N 121.298 -1.119 . . . . 0.0 108.5 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HB2' ' H ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -38.56 129.59 1.41 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.361 0.601 . . . . 0.0 111.03 -178.636 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.63 -24.03 7.66 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.598 -0.689 . . . . 0.0 109.543 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.69 -16.94 19.72 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.204 -0.935 . . . . 0.0 109.474 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.404 ' H ' ' HB2' ' A' ' 57' ' ' ASP . . . -75.7 166.28 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.199 -0.938 . . . . 0.0 109.657 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -95.68 106.05 18.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.7 t -79.7 149.61 31.15 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.265 -0.897 . . . . 0.0 109.782 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.33 141.59 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.32 -0.862 . . . . 0.0 108.939 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -145.28 0.71 0.92 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.18 -0.95 . . . . 0.0 109.481 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -91.93 72.93 5.64 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.23 -0.919 . . . . 0.0 109.385 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.63 -69.01 0.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.091 -1.006 . . . . 0.0 109.46 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -106.89 -172.94 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.281 -0.887 . . . . 0.0 109.488 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.31 80.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 m -151.24 -116.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.241 -1.152 . . . . 0.0 109.4 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.53 23.97 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.292 -0.88 . . . . 0.0 109.48 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.9 103.42 0.18 Allowed Glycine 0 CA--C 1.529 0.927 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -71.37 152.53 43.08 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.247 -1.149 . . . . 0.0 109.389 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -115.42 135.56 53.99 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.222 -0.924 . . . . 0.0 109.507 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.96 130.02 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 121.386 -0.821 . . . . 0.0 109.089 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.66 142.56 50.7 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.073 -1.017 . . . . 0.0 109.676 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 m -117.62 113.96 22.69 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.293 -0.88 . . . . 0.0 109.28 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -116.5 120.4 38.63 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.206 -0.934 . . . . 0.0 109.036 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 151.41 41.65 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.073 -1.017 . . . . 0.0 108.925 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -107.89 -4.27 18.12 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.199 -0.938 . . . . 0.0 109.513 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.67 170.14 16.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.26 -0.9 . . . . 0.0 109.278 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.409 ' C ' ' H ' ' A' ' 83' ' ' SER . 11.0 Cg_endo -87.0 -49.53 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.662 1 C-N-CA 125.335 4.023 . . . . 0.0 110.076 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -82.61 21.89 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.288 -0.883 . . . . 0.0 108.906 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.409 ' H ' ' C ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -70.1 121.15 16.93 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.501 -0.749 . . . . 0.0 109.545 -179.605 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -140.0 87.57 12.42 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 121.322 -0.861 . . . . 0.0 108.967 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -30.65 110.09 0.04 OUTLIER 'Trans proline' 0 N--CA 1.483 0.867 1 C-N-CA 125.764 4.31 . . . . 0.0 111.214 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HG ' ' CE1' ' A' ' 5' ' ' HIS . 1.1 mm? -67.76 -20.68 65.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CD2' HD23 ' A' ' 31' ' ' LEU . 84.5 m-85 -142.86 -105.68 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -111.55 23.51 13.85 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.086 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.3 25.99 5.6 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 119.458 -1.353 . . . . 0.0 110.704 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.449 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 2.0 pt -96.76 -29.26 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 120.883 -1.363 . . . . 0.0 108.806 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.449 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 5.0 m-85 -137.29 107.14 6.26 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.39 -0.819 . . . . 0.0 109.162 179.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 73.6 m -99.82 102.86 14.41 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.971 -1.08 . . . . 0.0 109.197 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.425 ' HB3' ' CD2' ' A' ' 5' ' ' HIS . 30.1 t -167.77 -142.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.22 -0.925 . . . . 0.0 109.534 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t 66.31 -157.67 0.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.43 -0.794 . . . . 0.0 109.299 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.9 t -166.51 -105.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.224 -0.922 . . . . 0.0 109.448 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.483 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.5 mm -65.78 148.86 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.249 -0.907 . . . . 0.0 109.564 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 m -123.47 -97.3 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.3 -0.875 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -168.37 -20.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.313 -0.867 . . . . 0.0 109.33 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.462 ' CD2' ' CE1' ' A' ' 21' ' ' HIS . 2.7 m-70 -83.43 26.86 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.329 -0.857 . . . . 0.0 109.376 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.2 -138.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.254 -0.904 . . . . 0.0 109.454 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.55 -173.75 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.297 -0.877 . . . . 0.0 109.561 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -126.45 -60.05 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 121.271 -0.893 . . . . 0.0 109.427 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -163.98 55.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.28 -0.887 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.494 ' HZ3' ' CA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -85.98 1.59 49.58 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.19 -0.944 . . . . 0.0 109.649 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.14 64.45 0.36 Allowed 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.447 -0.783 . . . . 0.0 109.968 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 28' ' ' CYS . 33.2 t -104.7 138.21 19.45 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -82.37 -179.95 5.01 Favored 'Trans proline' 0 N--CA 1.484 0.926 0 C-N-CA 124.338 3.359 . . . . 0.0 111.151 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -77.99 177.87 7.93 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 121.429 -0.794 . . . . 0.0 109.027 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.3 m120 58.97 27.95 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.098 -1.001 . . . . 0.0 108.409 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.96 136.69 17.06 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' HA3' ' CE2' ' A' ' 91' ' ' PHE . . . -100.36 168.25 20.77 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.12 171.06 8.84 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.318 -1.107 . . . . 0.0 109.872 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.456 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -169.89 89.42 0.17 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -117.36 86.88 2.6 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.09 -1.006 . . . . 0.0 110.219 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.462 ' CE1' ' CD2' ' A' ' 5' ' ' HIS . 0.4 OUTLIER -176.31 175.45 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.153 -0.967 . . . . 0.0 109.609 179.299 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.419 ' HG ' ' CG ' ' A' ' 21' ' ' HIS . 11.9 mt 72.34 -46.65 0.65 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.05 9.47 15.97 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.202 -0.936 . . . . 0.0 108.474 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 53.07 25.84 4.42 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -120.66 141.99 49.86 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.339 -0.851 . . . . 0.0 109.491 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' HB3' ' HZ2' ' A' ' 10' ' ' LYS . 16.9 mt-10 -83.74 122.42 28.62 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.341 -0.849 . . . . 0.0 109.619 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.494 ' CA ' ' HZ3' ' A' ' 10' ' ' LYS . 3.1 mt-10 -129.24 157.65 41.25 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.206 -0.933 . . . . 0.0 109.598 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -130.13 101.3 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.741 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.524 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 3.4 ttmm -88.54 174.08 8.29 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.512 -0.742 . . . . 0.0 109.116 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.524 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 15.2 m -85.6 162.43 18.85 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 120.918 -1.114 . . . . 0.0 109.325 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' A' ' 87' ' ' PHE . 15.6 mt -77.99 -169.06 1.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.185 -0.947 . . . . 0.0 109.763 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -70.0 154.51 41.85 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.322 -0.861 . . . . 0.0 109.586 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 57.44 16.72 3.39 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.319 -0.863 . . . . 0.0 109.546 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -126.47 114.16 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.215 -0.928 . . . . 0.0 109.411 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' CE ' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -93.13 -171.99 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.291 -0.88 . . . . 0.0 109.301 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.9 134.43 53.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.566 -0.709 . . . . 0.0 109.23 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -156.25 133.97 11.03 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.164 -0.96 . . . . 0.0 109.513 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.82 -91.2 0.26 Allowed Glycine 0 CA--C 1.529 0.929 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -149.62 -2.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.237 -1.155 . . . . 0.0 109.373 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -131.37 146.14 52.15 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.221 -0.924 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.5 m -74.46 144.09 44.38 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.236 -0.915 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.403 ' CG2' ' CE ' ' A' ' 35' ' ' LYS . 34.0 m -121.77 177.7 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 121.12 -0.987 . . . . 0.0 109.741 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -82.13 131.65 35.24 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.241 -0.912 . . . . 0.0 109.695 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 10.0 t30 -105.89 134.11 19.89 Favored Pre-proline 0 CA--C 1.534 0.336 0 O-C-N 121.333 -0.854 . . . . 0.0 109.417 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 19.6 Cg_endo -91.17 -15.29 1.58 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 124.783 3.656 . . . . 0.0 109.943 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -151.69 92.69 3.61 Favored Pre-proline 0 CA--C 1.534 0.343 0 O-C-N 121.439 -0.788 . . . . 0.0 109.215 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -89.65 143.59 4.39 Favored 'Trans proline' 0 N--CA 1.479 0.674 0 C-N-CA 125.251 3.967 . . . . 0.0 110.589 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.5 t -129.09 -163.56 1.3 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.272 -0.892 . . . . 0.0 109.354 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' A' ' 51' ' ' GLU . 2.6 m -111.91 -27.99 8.22 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.195 -0.94 . . . . 0.0 108.748 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -69.89 1.43 4.46 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.46 -0.775 . . . . 0.0 108.956 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.6 pt-20 -99.77 51.15 0.92 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 42.07 73.14 0.14 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.248 0.547 . . . . 0.0 110.365 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.49 ' ND2' ' HZ3' ' A' ' 29' ' ' LYS . 6.6 t-20 60.07 85.85 0.1 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.714 0.769 . . . . 0.0 109.192 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.13 44.25 2.18 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 107.993 -2.043 . . . . 0.0 107.993 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.42 -17.73 5.55 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 107.927 -2.069 . . . . 0.0 107.927 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 57' ' ' ASP . 55.1 m -111.8 110.29 20.56 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 121.43 -1.041 . . . . 0.0 109.093 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 56' ' ' CYS . 39.4 t0 -28.19 139.1 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.364 0.602 . . . . 0.0 111.924 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.3 -32.73 62.66 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.423 -0.798 . . . . 0.0 108.96 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -84.63 -11.45 55.93 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.376 -0.827 . . . . 0.0 109.081 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.3 157.57 15.84 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.221 -0.924 . . . . 0.0 109.64 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -84.87 168.81 14.73 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.269 -0.895 . . . . 0.0 109.435 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.1 t -134.34 152.72 51.97 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.313 -0.867 . . . . 0.0 109.475 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -142.88 142.25 31.72 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.227 -0.921 . . . . 0.0 109.27 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.02 2.67 3.38 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.249 -0.907 . . . . 0.0 109.326 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.23 166.95 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.416 -0.802 . . . . 0.0 109.445 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -55.08 142.29 31.18 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.254 -0.904 . . . . 0.0 109.471 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 m -167.18 -69.39 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.284 -0.885 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.6 -115.3 3.23 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 t -175.46 -122.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.208 -1.172 . . . . 0.0 109.486 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 t30 65.16 7.36 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.281 -0.887 . . . . 0.0 109.406 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.5 -61.45 4.73 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.464 ' HD3' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -85.54 77.17 9.92 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.333 -1.098 . . . . 0.0 109.44 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -79.18 105.9 10.83 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.293 -0.879 . . . . 0.0 109.219 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 mm -142.49 150.67 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 121.225 -0.922 . . . . 0.0 109.456 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.77 148.32 31.82 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.236 -0.915 . . . . 0.0 109.366 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -125.54 141.66 51.92 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.236 -0.915 . . . . 0.0 109.451 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.49 115.88 9.5 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.203 -0.936 . . . . 0.0 109.451 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 102.62 15.29 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.244 -0.91 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 p -66.11 -11.81 51.43 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.325 -0.859 . . . . 0.0 109.631 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 167.44 4.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 121.118 -0.989 . . . . 0.0 109.302 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.457 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 14.4 Cg_endo -88.4 -43.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.603 0 C-N-CA 125.228 3.952 . . . . 0.0 110.165 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.457 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -82.16 21.85 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.324 -0.86 . . . . 0.0 109.204 179.693 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.8 p -53.11 104.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.576 -0.702 . . . . 0.0 109.387 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.401 ' H ' ' H ' ' A' ' 93' ' ' SER . 5.3 m-85 -139.34 69.68 39.91 Favored Pre-proline 0 C--N 1.328 -0.358 0 O-C-N 121.408 -0.807 . . . . 0.0 109.211 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -31.37 141.59 0.04 OUTLIER 'Trans proline' 0 N--CA 1.481 0.752 1 C-N-CA 126.171 4.58 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.8 mt -103.3 -6.92 21.53 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.335 -0.853 . . . . 0.0 109.344 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.404 ' CD1' HD23 ' A' ' 31' ' ' LEU . 83.5 m-85 -152.01 -16.49 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.191 -0.943 . . . . 0.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 167.46 -42.35 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.98 9.31 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.449 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 2.3 pt -80.48 -12.29 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 O-C-N 121.193 -1.18 . . . . 0.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.449 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 52.8 m-85 -144.37 69.97 1.28 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.366 -0.834 . . . . 0.0 109.506 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 38.8 m -70.01 125.01 25.52 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.208 -0.932 . . . . 0.0 109.463 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.401 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -66.82 153.81 42.46 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.226 -0.921 . . . . 0.0 109.428 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 p -144.32 -56.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.235 -0.916 . . . . 0.0 109.499 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 28.3 t -89.0 95.06 10.17 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.298 -0.876 . . . . 0.0 109.558 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.499 179.903 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.5 mm -85.4 152.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 O-C-N 121.224 -0.923 . . . . 0.0 109.431 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.44 28.32 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.27 -0.894 . . . . 0.0 109.419 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 59.89 83.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.223 -0.923 . . . . 0.0 109.402 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -94.74 38.24 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.225 -0.922 . . . . 0.0 109.406 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.86 13.74 25.71 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.304 -0.872 . . . . 0.0 109.358 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 m 62.4 -167.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.236 -0.915 . . . . 0.0 109.424 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.0 t -102.39 -61.18 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 121.31 -0.869 . . . . 0.0 109.493 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.52 25.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.273 -0.892 . . . . 0.0 109.473 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -59.86 150.88 27.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.181 -0.949 . . . . 0.0 109.427 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -127.55 93.86 3.82 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.256 -0.903 . . . . 0.0 109.469 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 175.11 4.6 Favored Pre-proline 0 C--N 1.33 -0.259 0 O-C-N 121.317 -0.864 . . . . 0.0 109.345 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -89.44 167.73 5.14 Favored 'Trans proline' 0 N--CA 1.478 0.596 1 C-N-CA 125.541 4.161 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.6 176.43 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.262 -0.899 . . . . 0.0 109.462 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.411 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 8.8 m-20 55.36 21.21 4.04 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 121.201 -0.937 . . . . 0.0 109.313 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 t -159.65 155.19 25.71 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.236 -0.915 . . . . 0.0 109.79 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.05 162.67 25.64 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.5 149.08 24.62 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.187 -1.184 . . . . 0.0 109.719 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 48.2 t80 -153.12 138.28 17.38 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.315 -0.866 . . . . 0.0 109.25 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -78.99 115.32 18.6 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.239 -0.913 . . . . 0.0 109.526 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 139.33 40.66 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.29 -0.881 . . . . 0.0 109.377 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 2.7 mm? -62.44 -11.11 13.97 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.287 -0.883 . . . . 0.0 109.261 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.71 34.73 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.344 -0.848 . . . . 0.0 109.487 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 59.34 33.64 22.54 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.22 -0.925 . . . . 0.0 109.518 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -123.16 -179.39 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.18 -0.95 . . . . 0.0 109.418 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -139.37 130.82 27.02 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.323 -0.861 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.09 164.37 37.4 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.185 -0.947 . . . . 0.0 109.54 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.7 m -106.61 114.48 28.62 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.278 -0.889 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -101.86 137.71 39.8 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.259 -0.901 . . . . 0.0 109.246 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -55.52 167.12 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.156 -0.965 . . . . 0.0 109.4 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.1 mt -79.8 -168.5 1.62 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.164 -0.96 . . . . 0.0 109.651 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.98 155.48 40.52 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.314 -0.867 . . . . 0.0 109.548 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.4 m120 58.32 16.78 4.25 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.353 -0.842 . . . . 0.0 109.378 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 10.0 m-85 -128.37 116.58 19.99 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.408 -0.807 . . . . 0.0 109.237 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.11 -176.97 3.31 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.162 -0.961 . . . . 0.0 109.025 179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -109.98 136.65 48.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.444 -0.785 . . . . 0.0 109.302 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -169.94 147.61 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.25 -0.906 . . . . 0.0 109.587 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.0 -122.56 30.07 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -119.45 15.57 12.94 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.224 -1.163 . . . . 0.0 109.618 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -159.82 156.74 27.99 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.173 -0.954 . . . . 0.0 109.388 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.4 m -73.52 134.67 43.89 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.111 -0.993 . . . . 0.0 109.508 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.6 m -105.87 -179.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 121.247 -0.908 . . . . 0.0 109.647 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.46 144.42 39.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.439 -0.788 . . . . 0.0 109.754 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -127.5 75.81 77.24 Favored Pre-proline 0 CA--C 1.532 0.275 0 O-C-N 121.468 -0.77 . . . . 0.0 109.269 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -31.54 -36.25 0.05 OUTLIER 'Trans proline' 0 N--CA 1.483 0.856 1 C-N-CA 125.96 4.44 . . . . 0.0 111.289 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.02 91.45 8.03 Favored Pre-proline 0 CA--C 1.533 0.326 0 O-C-N 121.11 -0.994 . . . . 0.0 109.619 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -51.9 175.5 0.07 OUTLIER 'Trans proline' 0 N--CA 1.485 1.014 0 C-N-CA 124.041 3.161 . . . . 0.0 109.642 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.405 ' CG2' ' CG ' ' A' ' 51' ' ' GLU . 6.6 t -130.3 -166.06 1.63 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.036 -1.04 . . . . 0.0 109.732 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.9 m -148.8 -37.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -65.86 -5.66 9.78 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.546 -0.721 . . . . 0.0 109.079 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 34.5 mm-40 -92.89 49.85 1.49 Allowed 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.147 -0.971 . . . . 0.0 108.61 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 6.4 p30 40.98 69.79 0.31 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.064 0.459 . . . . 0.0 110.413 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.8 OUTLIER 70.81 83.06 0.15 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.623 0.725 . . . . 0.0 109.354 -179.664 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.8 -23.82 31.3 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 108.604 -1.798 . . . . 0.0 108.604 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 162.75 11.71 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 107.481 -2.248 . . . . 0.0 107.481 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.53 ' O ' ' O ' ' A' ' 57' ' ' ASP . 61.1 m -95.68 69.76 2.97 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 118.958 -1.097 . . . . 0.0 110.43 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.53 ' O ' ' O ' ' A' ' 56' ' ' CYS . 6.1 t0 39.28 120.71 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 122.292 1.044 . . . . 0.0 112.903 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.43 -17.53 1.25 Allowed 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.74 -1.225 . . . . 0.0 109.968 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -17.18 15.38 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.164 -0.96 . . . . 0.0 109.526 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.493 ' H ' ' HB3' ' A' ' 57' ' ' ASP . . . -87.53 170.41 11.35 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 121.084 -1.01 . . . . 0.0 109.651 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.43 ' HZ1' ' H ' ' A' ' 62' ' ' CYS . 0.0 OUTLIER -95.55 176.48 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.325 -0.859 . . . . 0.0 109.327 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.43 ' H ' ' HZ1' ' A' ' 61' ' ' LYS . 3.3 t -134.08 136.0 43.64 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.304 -0.873 . . . . 0.0 109.391 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.63 140.11 52.3 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.181 -0.95 . . . . 0.0 109.471 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.04 18.27 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.289 -0.882 . . . . 0.0 109.768 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.46 123.74 12.89 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.34 -0.85 . . . . 0.0 109.718 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.3 169.75 3.42 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.325 -0.86 . . . . 0.0 109.467 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 t -148.57 -5.27 0.43 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.321 -0.862 . . . . 0.0 109.417 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.68 -116.04 0.4 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.4 160.11 20.34 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.205 -1.174 . . . . 0.0 109.464 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m120 55.43 62.39 2.48 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.339 -0.85 . . . . 0.0 109.561 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.67 109.06 0.93 Allowed Glycine 0 CA--C 1.529 0.92 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.47 155.0 20.71 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.193 -1.181 . . . . 0.0 109.353 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -113.92 123.69 50.37 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.187 -0.946 . . . . 0.0 109.671 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.8 mm -112.33 153.13 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 121.301 -0.874 . . . . 0.0 109.175 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.415 HG21 ' H ' ' A' ' 76' ' ' CYS . 4.5 m -157.56 156.75 32.49 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.144 -0.972 . . . . 0.0 109.725 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.415 ' H ' HG21 ' A' ' 75' ' ' THR . 22.2 m -112.24 135.18 53.24 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.355 -0.841 . . . . 0.0 109.142 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -128.06 92.12 3.4 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.154 -0.966 . . . . 0.0 109.577 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.8 m -57.37 131.83 51.25 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.249 -0.907 . . . . 0.0 109.872 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 t -84.89 21.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.352 -0.842 . . . . 0.0 108.846 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.09 169.24 14.3 Favored Pre-proline 0 C--N 1.331 -0.219 0 O-C-N 121.418 -0.802 . . . . 0.0 109.161 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -83.56 126.78 4.19 Favored 'Trans proline' 0 N--CA 1.479 0.621 0 C-N-CA 124.79 3.66 . . . . 0.0 109.228 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.9 t70 72.63 -52.64 0.7 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.38 139.97 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.571 -0.706 . . . . 0.0 109.835 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.01 68.16 10.39 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 121.105 -0.997 . . . . 0.0 109.277 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -33.6 125.83 0.15 Allowed 'Trans proline' 0 N--CA 1.481 0.763 1 C-N-CA 126.055 4.504 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.08 -30.38 60.92 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CD2' HD13 ' A' ' 90' ' ' ILE . 61.9 m-85 -128.55 -105.19 0.31 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -115.22 23.73 12.23 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.351 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.37 -19.57 8.58 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 119.567 -1.301 . . . . 0.0 110.55 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.412 HD13 ' CD2' ' A' ' 87' ' ' PHE . 4.3 pt -54.96 -32.48 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 O-C-N 121.092 -1.24 . . . . 0.0 109.235 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 17.3 m-85 -128.59 -176.32 3.8 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.328 -0.858 . . . . 0.0 108.917 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -166.6 44.95 0.06 Allowed 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.416 -0.802 . . . . 0.0 109.16 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.0 t -124.41 -166.08 1.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.105 -0.997 . . . . 0.0 109.57 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -102.18 175.62 5.46 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.188 -0.945 . . . . 0.0 109.505 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -110.18 -142.79 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.229 -0.919 . . . . 0.0 109.459 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.324 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.92 -21.61 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.239 -0.913 . . . . 0.0 109.361 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.2 40.12 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.26 -0.9 . . . . 0.0 109.52 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.441 ' C ' ' H ' ' A' ' 6' ' ' GLN . 38.9 mt-30 57.82 -127.23 1.64 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.243 -0.91 . . . . 0.0 109.433 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 69.66 -8.56 0.76 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 121.487 -0.758 . . . . 0.0 110.026 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.441 ' H ' ' C ' ' A' ' 4' ' ' GLN . 5.3 mm100 -68.89 -20.08 64.24 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 120.984 -1.073 . . . . 0.0 109.56 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.0 m 58.09 179.02 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.233 -0.917 . . . . 0.0 109.434 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 m -106.23 17.45 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 121.259 -0.901 . . . . 0.0 109.186 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt 64.0 76.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.377 -0.827 . . . . 0.0 109.444 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.461 ' HZ3' ' HB3' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -102.04 -11.16 19.1 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.08 -1.013 . . . . 0.0 109.049 179.705 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 66.5 83.24 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.45 -0.781 . . . . 0.0 109.833 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -85.97 174.99 4.88 Favored Pre-proline 0 CA--C 1.531 0.237 0 O-C-N 121.113 -0.992 . . . . 0.0 109.045 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -88.2 161.09 7.06 Favored 'Trans proline' 0 N--CA 1.478 0.575 1 C-N-CA 125.39 4.06 . . . . 0.0 110.507 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -55.33 176.99 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.236 -0.915 . . . . 0.0 109.614 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 55.24 23.15 5.25 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.191 -0.943 . . . . 0.0 109.036 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -161.18 159.12 28.49 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.316 -0.865 . . . . 0.0 109.617 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.67 158.5 27.06 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.73 155.07 26.91 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.24 -1.153 . . . . 0.0 109.592 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 31.2 t80 -162.65 134.93 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.336 -0.852 . . . . 0.0 109.45 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -78.37 112.44 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.347 -0.845 . . . . 0.0 109.232 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.48 136.68 37.68 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.435 -0.79 . . . . 0.0 109.653 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 4.5 mm? -60.14 -14.27 16.28 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.335 -0.853 . . . . 0.0 109.287 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.41 29.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.271 -0.893 . . . . 0.0 109.461 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 64.54 33.03 11.22 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.374 -0.828 . . . . 0.0 109.679 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.21 -178.18 3.8 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.244 -0.91 . . . . 0.0 109.43 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' HB3' ' HZ3' ' A' ' 10' ' ' LYS . 34.5 mt-10 -143.38 135.69 27.08 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.291 -0.88 . . . . 0.0 109.452 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.6 162.43 21.57 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.164 -0.96 . . . . 0.0 109.621 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 85.0 m -105.36 112.57 25.73 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.283 -0.885 . . . . 0.0 109.315 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.73 141.49 29.89 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.249 -0.907 . . . . 0.0 108.818 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.6 m -52.98 165.34 0.31 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.225 -0.922 . . . . 0.0 109.927 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.423 HD23 ' CE1' ' A' ' 87' ' ' PHE . 48.5 mt -76.47 -165.67 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.213 -0.929 . . . . 0.0 110.232 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.46 153.8 42.56 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 121.455 -0.778 . . . . 0.0 109.868 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 m120 54.09 20.34 2.46 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.305 -0.872 . . . . 0.0 109.697 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -125.1 116.65 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.167 -0.958 . . . . 0.0 109.234 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.59 -171.72 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.132 -0.98 . . . . 0.0 109.306 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.39 143.2 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.585 -0.697 . . . . 0.0 109.414 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -157.37 121.27 4.2 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.175 -0.953 . . . . 0.0 109.39 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.21 -103.59 0.56 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.42 2.99 5.09 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.252 -1.146 . . . . 0.0 109.489 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 142.86 47.99 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.178 -0.951 . . . . 0.0 109.365 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.9 m -71.85 142.02 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.243 -0.911 . . . . 0.0 109.23 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -114.44 179.96 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 O-C-N 121.2 -0.937 . . . . 0.0 109.555 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.63 135.64 38.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.223 -0.923 . . . . 0.0 109.569 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.418 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.8 t-20 -116.41 124.85 29.04 Favored Pre-proline 0 CA--C 1.537 0.464 0 O-C-N 121.238 -0.914 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 18.1 Cg_endo -92.2 -16.28 1.09 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 124.773 3.649 . . . . 0.0 110.345 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.544 HD22 ' HZ1' ' A' ' 72' ' ' LYS . 2.3 t-20 -129.28 97.61 25.23 Favored Pre-proline 0 CA--C 1.534 0.36 0 O-C-N 121.289 -0.882 . . . . 0.0 109.755 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -89.84 176.59 2.78 Favored 'Trans proline' 0 N--CA 1.478 0.572 0 C-N-CA 125.254 3.969 . . . . 0.0 109.813 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' A' ' 51' ' ' GLU . 10.3 t -153.07 -152.41 0.42 Allowed 'General case' 0 CA--C 1.533 0.307 0 O-C-N 120.93 -1.106 . . . . 0.0 110.311 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.404 ' N ' ' CG2' ' A' ' 48' ' ' THR . 85.3 m -150.0 -43.9 0.13 Allowed 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -67.61 2.55 1.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.558 -0.714 . . . . 0.0 110.022 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HB2' ' CG2' ' A' ' 48' ' ' THR . 44.5 mt-10 -103.31 58.5 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 120.981 -1.075 . . . . 0.0 108.724 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 p30 41.06 72.51 0.16 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.163 0.506 . . . . 0.0 110.757 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 11.1 t-20 59.75 84.87 0.11 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.665 0.745 . . . . 0.0 109.314 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.13 -35.75 89.24 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 107.676 -2.169 . . . . 0.0 107.676 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -159.18 -4.45 0.06 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 107.379 -2.288 . . . . 0.0 107.379 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ASP . 96.5 m -111.62 119.24 38.02 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.635 -0.921 . . . . 0.0 109.419 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' CYS . 24.4 t0 -27.43 138.89 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.433 0.635 . . . . 0.0 111.934 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.61 -32.7 59.22 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 121.352 -0.842 . . . . 0.0 109.094 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.68 -11.46 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.322 -0.861 . . . . 0.0 109.041 179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.76 149.26 25.4 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.284 -0.885 . . . . 0.0 109.376 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -78.88 105.22 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.238 -0.913 . . . . 0.0 109.205 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.1 t -83.91 125.39 31.96 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.359 -0.838 . . . . 0.0 109.424 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.08 141.29 52.12 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.222 -0.924 . . . . 0.0 109.536 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -151.88 -2.79 0.29 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.237 -0.914 . . . . 0.0 109.699 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -88.64 177.34 6.78 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.159 -0.963 . . . . 0.0 109.509 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t70 55.52 17.28 2.18 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.275 -0.891 . . . . 0.0 110.023 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.1 t -161.26 74.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.178 -0.951 . . . . 0.0 109.474 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.7 86.82 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.9 t -130.28 -91.26 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.33 -1.1 . . . . 0.0 109.451 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -92.0 36.95 0.97 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.205 -0.934 . . . . 0.0 109.443 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 144.93 113.91 0.89 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.544 ' HZ1' HD22 ' A' ' 46' ' ' ASN . 0.1 OUTLIER -55.04 130.87 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.293 -1.122 . . . . 0.0 109.372 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -105.89 125.29 50.81 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.255 -0.903 . . . . 0.0 109.466 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.2 mm -113.66 148.1 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 O-C-N 121.281 -0.887 . . . . 0.0 109.203 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.73 150.33 36.05 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.139 -0.976 . . . . 0.0 109.651 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 m -120.34 132.22 55.19 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.368 -0.832 . . . . 0.0 109.117 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -134.56 94.32 3.18 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.153 -0.967 . . . . 0.0 109.733 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' A' ' 80' ' ' LYS . 2.6 m -61.15 119.55 8.6 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.208 -0.933 . . . . 0.0 109.408 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 t -76.52 13.32 1.0 Allowed 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.314 -0.866 . . . . 0.0 109.65 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 78' ' ' CYS . 9.9 mmtt -83.0 168.47 22.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 O-C-N 121.227 -0.921 . . . . 0.0 109.166 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -82.8 128.05 5.06 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 124.86 3.707 . . . . 0.0 109.289 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 72.28 -52.1 0.7 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.403 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.3 OUTLIER 61.58 155.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.475 -0.766 . . . . 0.0 110.315 179.116 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.571 ' H ' ' H ' ' A' ' 93' ' ' SER . 56.0 m-85 -152.31 105.27 2.77 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -86.11 123.92 2.41 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 124.84 3.693 . . . . 0.0 110.246 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 mt -82.85 -23.08 33.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CD2' ' CD1' ' A' ' 90' ' ' ILE . 74.1 m-85 -128.19 -112.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.48 28.92 8.39 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.569 -0.707 . . . . 0.0 109.9 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.86 -9.83 27.56 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 119.608 -1.282 . . . . 0.0 110.375 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.442 ' CD1' ' CD2' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -55.5 -30.22 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 O-C-N 121.062 -1.258 . . . . 0.0 108.762 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.488 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 23.4 m-85 -132.4 161.54 33.37 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.368 -0.833 . . . . 0.0 108.886 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 33.5 m -135.84 162.0 34.04 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.141 -0.974 . . . . 0.0 109.282 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.571 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER 66.85 131.04 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.442 -0.786 . . . . 0.0 109.463 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 p -161.73 -176.5 5.31 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.194 -0.942 . . . . 0.0 109.429 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.3 t -119.26 153.03 35.66 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.301 -0.874 . . . . 0.0 109.416 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.459 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 mm 58.99 67.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 O-C-N 121.245 -0.909 . . . . 0.0 109.376 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 t -125.98 -136.2 0.26 Allowed 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.232 -0.918 . . . . 0.0 109.428 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 65.53 148.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.29 -0.881 . . . . 0.0 109.453 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 2.2 m170 55.09 36.26 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.303 -0.873 . . . . 0.0 109.285 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -108.92 -0.43 19.7 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.36 -0.838 . . . . 0.0 109.235 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 m 63.23 172.35 0.16 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.306 -0.871 . . . . 0.0 109.493 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.95 127.69 68.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 121.304 -0.873 . . . . 0.0 109.369 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 58.37 38.66 25.83 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.282 -0.886 . . . . 0.0 109.397 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' CG ' ' H ' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -95.68 -161.61 0.88 Allowed 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.273 -0.892 . . . . 0.0 109.462 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.48 ' H ' ' CG ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -143.31 19.88 1.9 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.318 -0.864 . . . . 0.0 109.348 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 t -54.55 114.18 6.38 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 121.304 -0.873 . . . . 0.0 109.183 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -84.41 -174.71 1.9 Allowed 'Trans proline' 0 N--CA 1.483 0.889 0 C-N-CA 124.786 3.657 . . . . 0.0 110.951 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -68.13 176.62 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.521 -0.737 . . . . 0.0 109.386 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.6 m120 55.18 22.99 5.01 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.214 -0.929 . . . . 0.0 108.868 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 p -163.45 127.14 2.77 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.5 -0.75 . . . . 0.0 109.219 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.84 149.86 19.31 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -81.54 168.86 17.78 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.187 -1.184 . . . . 0.0 109.365 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' CE2' ' HA ' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -158.2 153.93 26.49 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.461 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 6.5 ttp180 179.19 -144.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 5' ' ' HIS . 19.7 m-70 59.86 4.71 0.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.466 -0.771 . . . . 0.0 110.89 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 mt -120.38 7.11 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 120.92 -1.113 . . . . 0.0 108.371 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.9 p-10 -179.37 9.72 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 67.82 9.13 6.9 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.959 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -177.55 52.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.072 -1.017 . . . . 0.0 109.935 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' H ' ' HG3' ' A' ' 20' ' ' ARG . 69.5 mm-40 -55.54 -90.06 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.406 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 170.78 -178.11 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.676 -0.64 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 t -107.94 108.24 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.319 -0.863 . . . . 0.0 108.877 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -87.48 161.25 17.92 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.232 -0.917 . . . . 0.0 109.237 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.479 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 39.7 m -77.71 164.85 24.9 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 120.977 -1.077 . . . . 0.0 109.274 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.42 HD23 ' CD1' ' A' ' 87' ' ' PHE . 4.8 mt -72.21 -170.77 0.66 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.181 -0.949 . . . . 0.0 109.759 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.7 mt -73.29 152.85 40.81 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.273 -0.892 . . . . 0.0 109.208 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 58.76 16.66 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.182 -0.949 . . . . 0.0 109.315 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -123.01 113.56 19.22 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.404 -0.81 . . . . 0.0 109.205 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.411 ' H ' ' HG2' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -98.63 -179.98 4.49 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.171 -0.955 . . . . 0.0 109.159 179.809 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -98.13 141.11 31.47 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.305 -0.872 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.36 126.03 1.91 Allowed 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.16 -0.962 . . . . 0.0 109.437 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.26 8.87 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -123.57 13.75 9.42 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.25 -1.147 . . . . 0.0 109.405 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.1 147.75 30.91 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.248 -0.907 . . . . 0.0 109.107 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.1 m -75.3 127.44 33.17 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.104 -0.997 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 m -99.28 -179.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 O-C-N 121.101 -0.999 . . . . 0.0 109.786 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.23 140.13 40.03 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.572 -0.705 . . . . 0.0 109.651 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -129.87 68.12 80.31 Favored Pre-proline 0 C--N 1.331 -0.204 0 O-C-N 121.327 -0.858 . . . . 0.0 109.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -33.41 -34.32 0.06 OUTLIER 'Trans proline' 0 N--CA 1.482 0.802 1 C-N-CA 126.019 4.479 . . . . 0.0 110.856 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -123.45 89.35 51.19 Favored Pre-proline 0 CA--C 1.532 0.284 0 O-C-N 121.144 -0.973 . . . . 0.0 109.746 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -90.13 173.5 3.37 Favored 'Trans proline' 0 N--CA 1.478 0.609 1 C-N-CA 125.455 4.103 . . . . 0.0 110.073 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.8 t -153.32 -175.67 5.45 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.099 -1.0 . . . . 0.0 109.827 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.8 m -108.0 -29.9 8.75 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -56.87 -18.27 12.51 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.401 -0.812 . . . . 0.0 108.914 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.19 65.9 1.21 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 41.82 54.28 3.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.204 0.526 . . . . 0.0 111.205 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.464 HD21 ' HA ' ' A' ' 58' ' ' ALA . 7.0 t30 61.59 66.66 0.83 Allowed 'General case' 0 N--CA 1.462 0.146 0 O-C-N 120.984 -1.073 . . . . 0.0 108.916 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.13 -50.47 5.12 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.48 -20.52 76.73 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.402 ' HB3' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -112.28 145.66 39.59 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.069 -1.253 . . . . 0.0 110.462 -179.753 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.435 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -52.77 -91.19 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 O-C-N 121.443 -0.786 . . . . 0.0 109.839 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HA ' HD21 ' A' ' 53' ' ' ASN . . . -151.04 -25.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.339 -0.851 . . . . 0.0 109.427 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.63 -13.85 13.24 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.227 -0.921 . . . . 0.0 109.563 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 171.56 9.07 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.163 -0.961 . . . . 0.0 109.536 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.4 121.1 41.32 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.303 -0.873 . . . . 0.0 109.431 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.98 147.97 23.45 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.247 -0.908 . . . . 0.0 109.432 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.84 152.21 26.57 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.186 -0.946 . . . . 0.0 109.662 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.61 0.47 5.52 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.252 -0.905 . . . . 0.0 109.519 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -71.93 133.47 45.41 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.263 -0.898 . . . . 0.0 109.461 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 t0 52.92 -156.91 0.16 Allowed 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.463 -0.773 . . . . 0.0 109.745 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.5 m 56.4 64.65 1.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.289 -0.882 . . . . 0.0 109.391 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.32 145.44 16.91 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.5 -74.44 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.218 -1.166 . . . . 0.0 109.495 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.417 HD21 ' HZ2' ' A' ' 72' ' ' LYS . 44.4 t30 -59.65 -38.66 82.05 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.185 -0.947 . . . . 0.0 109.347 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 165.15 -60.85 0.24 Allowed Glycine 0 CA--C 1.529 0.92 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HZ2' HD21 ' A' ' 70' ' ' ASN . 0.1 OUTLIER -77.93 128.33 33.76 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.218 -1.166 . . . . 0.0 109.471 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.37 105.33 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.25 -0.906 . . . . 0.0 109.299 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -143.86 133.56 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 O-C-N 121.286 -0.884 . . . . 0.0 109.423 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 160.29 38.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.227 -0.921 . . . . 0.0 109.536 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.2 m -152.22 147.35 26.29 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.311 -0.868 . . . . 0.0 109.666 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -147.29 104.15 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.262 -0.899 . . . . 0.0 109.38 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.0 m -69.36 131.6 45.08 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.296 -0.877 . . . . 0.0 109.429 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 t -93.13 28.39 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.229 -0.919 . . . . 0.0 109.375 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -84.16 151.55 60.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 121.244 -0.91 . . . . 0.0 109.178 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -38.61 -93.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.482 0.846 0 C-N-CA 125.112 3.875 . . . . 0.0 109.994 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -83.92 -8.39 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 120.724 -1.235 . . . . 0.0 107.791 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.6 OUTLIER 61.52 151.94 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 109.946 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 83' ' ' SER . 61.7 m-85 -155.04 88.18 3.22 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 120.994 -1.066 . . . . 0.0 108.862 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -90.12 133.0 1.94 Allowed 'Trans proline' 0 N--CA 1.476 0.454 1 C-N-CA 125.707 4.272 . . . . 0.0 110.7 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 98.7 mt -79.7 -9.08 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.42 ' CD1' HD23 ' A' ' 31' ' ' LEU . 86.4 m-85 -149.84 -113.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -105.18 21.88 16.35 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.446 -0.784 . . . . 0.0 109.957 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.51 48.12 0.76 Allowed Glycine 0 CA--C 1.53 0.979 0 C-N-CA 119.538 -1.315 . . . . 0.0 110.402 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -127.57 7.48 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 121.118 -1.225 . . . . 0.0 109.186 179.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.429 ' HA ' ' CE2' ' A' ' 19' ' ' PHE . 96.8 m-85 -148.13 22.18 1.08 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.232 -0.917 . . . . 0.0 109.437 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.6 134.42 41.28 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.331 -0.855 . . . . 0.0 109.599 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.48 169.79 18.2 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.176 -0.953 . . . . 0.0 109.574 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.3 t -104.22 59.66 0.72 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.266 -0.896 . . . . 0.0 109.313 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.1 t -103.29 140.99 36.68 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.221 -0.925 . . . . 0.0 109.31 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.466 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 64.36 150.19 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 O-C-N 121.317 -0.864 . . . . 0.0 109.423 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -162.39 -112.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.208 -0.932 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 62.32 103.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.209 -0.932 . . . . 0.0 109.431 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 55.22 29.03 12.03 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.277 -0.889 . . . . 0.0 109.415 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -103.22 148.49 25.74 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.224 -0.923 . . . . 0.0 109.458 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.9 m -89.97 178.53 6.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.244 -0.91 . . . . 0.0 109.434 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 m -105.03 -110.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 O-C-N 121.179 -0.951 . . . . 0.0 109.366 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -96.5 14.44 24.62 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.22 -0.925 . . . . 0.0 109.316 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.495 ' CG ' ' H ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -59.98 -179.46 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.241 -0.912 . . . . 0.0 109.409 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.495 ' H ' ' CG ' ' A' ' 10' ' ' LYS . 1.6 pt20 -141.92 135.93 29.92 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.21 -0.931 . . . . 0.0 109.661 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -127.32 138.37 32.63 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -81.12 -174.61 2.29 Favored 'Trans proline' 0 N--CA 1.483 0.872 0 C-N-CA 124.21 3.273 . . . . 0.0 110.926 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.29 172.26 12.76 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 56.01 21.76 5.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.094 -1.004 . . . . 0.0 108.769 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 p -157.27 137.41 12.67 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.45 -0.781 . . . . 0.0 109.263 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.36 165.47 12.14 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.98 160.91 16.13 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.155 -1.203 . . . . 0.0 109.744 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -170.01 140.06 1.95 Allowed 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.283 -0.886 . . . . 0.0 109.338 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -92.02 116.25 28.76 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.187 -0.946 . . . . 0.0 109.294 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.415 ' CG ' ' HG2' ' A' ' 25' ' ' ARG . 7.9 m170 -54.25 140.71 32.01 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.33 -0.856 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.401 ' CD1' ' N ' ' A' ' 22' ' ' LEU . 6.7 mp -67.54 -2.22 6.24 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.298 -0.876 . . . . 0.0 109.367 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.47 33.39 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.281 -0.887 . . . . 0.0 109.228 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.18 61.97 2.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.285 -0.884 . . . . 0.0 109.498 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG2' ' CG ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -150.94 124.97 9.26 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.219 -0.926 . . . . 0.0 109.132 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -87.92 118.69 27.64 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.124 -0.985 . . . . 0.0 109.798 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.84 165.41 31.59 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.275 -0.891 . . . . 0.0 109.369 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.49 125.53 44.38 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.279 -0.888 . . . . 0.0 108.86 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.445 ' HZ1' ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -96.89 -179.22 4.49 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.446 -0.784 . . . . 0.0 109.706 -179.095 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.4 m -83.35 166.48 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.289 -0.882 . . . . 0.0 109.926 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.424 ' CD2' ' CD2' ' A' ' 87' ' ' PHE . 16.4 mt -76.49 -167.21 0.76 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.364 -0.835 . . . . 0.0 109.807 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mt -73.43 151.98 40.94 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.296 -0.878 . . . . 0.0 109.386 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 58.22 17.4 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.29 -0.882 . . . . 0.0 109.319 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -124.88 116.96 23.05 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.419 -0.801 . . . . 0.0 109.087 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' HZ1' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -96.46 -176.59 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 179.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -122.49 138.71 54.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.506 -0.746 . . . . 0.0 109.299 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HB2' ' HZ2' ' A' ' 35' ' ' LYS . 51.3 tt0 -155.08 87.91 1.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.107 -0.996 . . . . 0.0 109.699 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.01 -104.27 2.43 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.89 2.78 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.238 -1.154 . . . . 0.0 109.575 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -137.19 145.85 44.19 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.207 -0.933 . . . . 0.0 109.424 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.4 m -86.47 139.92 30.43 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.227 -0.92 . . . . 0.0 109.543 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.47 -179.43 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 O-C-N 121.279 -0.888 . . . . 0.0 109.484 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.35 142.28 48.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.265 -0.897 . . . . 0.0 109.398 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -120.84 128.87 25.56 Favored Pre-proline 0 CA--C 1.537 0.453 0 O-C-N 121.179 -0.95 . . . . 0.0 109.447 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -92.17 -16.64 1.04 Allowed 'Trans proline' 0 N--CA 1.478 0.608 0 C-N-CA 124.76 3.64 . . . . 0.0 110.029 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -145.39 97.99 4.66 Favored Pre-proline 0 CA--C 1.534 0.327 0 O-C-N 121.347 -0.845 . . . . 0.0 109.153 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -88.09 123.19 1.64 Allowed 'Trans proline' 0 N--CA 1.478 0.599 0 C-N-CA 125.064 3.843 . . . . 0.0 110.646 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.491 HG21 ' H ' ' A' ' 49' ' ' CYS . 54.9 m -89.87 163.25 15.08 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 121.399 -0.813 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.491 ' H ' HG21 ' A' ' 48' ' ' THR . 98.5 m -112.78 -38.45 4.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.197 -0.939 . . . . 0.0 108.574 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.38 -8.07 5.43 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -81.88 -164.09 0.75 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -79.64 64.93 4.65 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.049 -1.032 . . . . 0.0 108.85 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.445 ' ND2' ' HZ1' ' A' ' 29' ' ' LYS . 3.7 t-20 60.2 83.48 0.14 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.19 -35.81 55.7 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 108.291 -1.924 . . . . 0.0 108.291 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -169.89 -1.09 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 107.562 -2.215 . . . . 0.0 107.562 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 57' ' ' ASP . 75.2 m -112.29 122.59 48.16 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.583 -0.951 . . . . 0.0 109.051 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 56' ' ' CYS . 0.0 OUTLIER -25.83 127.25 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.351 0.595 . . . . 0.0 111.855 -179.005 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.43 -25.41 15.88 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.577 -0.702 . . . . 0.0 109.747 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.6 -3.67 35.71 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 121.208 -0.932 . . . . 0.0 109.685 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.08 167.13 13.39 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.087 -1.008 . . . . 0.0 109.716 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -88.83 120.13 29.95 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.289 -0.882 . . . . 0.0 108.813 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.04 148.34 22.26 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.226 -0.921 . . . . 0.0 109.931 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.08 140.27 30.83 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.243 -0.911 . . . . 0.0 109.272 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.51 0.91 3.36 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.371 -0.831 . . . . 0.0 109.542 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -89.82 63.42 6.07 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.233 -0.917 . . . . 0.0 109.451 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.35 -166.82 2.65 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.215 -0.928 . . . . 0.0 109.37 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.9 p -178.44 133.62 0.14 Allowed 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.202 -0.936 . . . . 0.0 109.418 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 151.25 31.68 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.9 m -120.58 -96.62 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.306 -1.114 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -146.04 -22.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.317 -0.864 . . . . 0.0 109.235 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.89 -94.13 0.09 OUTLIER Glycine 0 CA--C 1.529 0.95 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 115.75 4.49 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.242 -1.152 . . . . 0.0 109.297 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.66 106.34 18.27 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.196 -0.94 . . . . 0.0 109.501 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -145.58 107.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 O-C-N 121.245 -0.91 . . . . 0.0 109.339 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 t -113.8 168.97 9.34 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.108 -0.995 . . . . 0.0 109.882 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.2 m -127.85 156.99 41.67 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.524 -0.735 . . . . 0.0 109.302 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -159.47 91.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.266 -0.896 . . . . 0.0 109.413 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 72.1 m -54.14 135.21 43.99 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.229 -0.919 . . . . 0.0 109.264 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.8 t -90.59 -19.57 23.56 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.231 -0.918 . . . . 0.0 109.797 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -54.99 170.58 0.35 Allowed Pre-proline 0 CA--C 1.532 0.277 0 O-C-N 121.18 -0.95 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -88.52 -54.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.478 0.581 1 C-N-CA 125.409 4.073 . . . . 0.0 110.239 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.82 21.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.332 -0.855 . . . . 0.0 109.042 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.409 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -82.67 131.33 35.21 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.529 -0.732 . . . . 0.0 109.541 -179.71 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.442 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 20.5 m-85 -145.69 95.97 4.83 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 27.8 Cg_exo -29.8 106.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.484 0.927 1 C-N-CA 125.686 4.257 . . . . 0.0 111.594 -178.555 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.454 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -66.39 -63.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 179.073 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.424 ' CD2' ' CD2' ' A' ' 31' ' ' LEU . 14.0 m-85 -81.09 -116.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.99 29.88 7.38 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.85 22.78 7.8 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.413 ' CG1' ' N ' ' A' ' 91' ' ' PHE . 0.4 OUTLIER -96.93 -36.85 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.18 -1.188 . . . . 0.0 109.755 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.454 ' CE2' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -143.93 110.35 5.5 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.085 -1.009 . . . . 0.0 109.18 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.5 m -82.98 158.83 22.4 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 120.957 -1.089 . . . . 0.0 109.525 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.13 -179.61 3.2 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.272 -0.893 . . . . 0.0 109.452 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.86 156.83 18.72 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.244 -0.91 . . . . 0.0 109.36 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.1 t -148.01 -77.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.255 -0.903 . . . . 0.0 109.473 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.47 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.6 m120 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.4 mm 57.95 -114.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 121.262 -0.899 . . . . 0.0 109.421 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t 61.71 45.15 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.21 -0.931 . . . . 0.0 109.42 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.63 -6.78 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.214 -0.929 . . . . 0.0 109.384 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.458 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 9.7 m-70 -150.18 10.09 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.304 -0.873 . . . . 0.0 109.418 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -79.6 14.55 1.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.242 -0.911 . . . . 0.0 109.409 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m 52.63 -153.11 0.24 Allowed 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.51 -0.744 . . . . 0.0 109.848 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 t -120.38 38.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.33 -0.856 . . . . 0.0 109.24 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.53 51.35 1.52 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.257 -0.902 . . . . 0.0 109.203 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' HZ2' ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -80.91 -121.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.161 -0.962 . . . . 0.0 109.725 -179.788 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -135.64 122.79 21.59 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.087 -1.008 . . . . 0.0 110.01 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 t -151.5 135.43 9.58 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -88.03 -171.53 0.67 Allowed 'Trans proline' 0 N--CA 1.482 0.834 0 C-N-CA 124.542 3.495 . . . . 0.0 111.309 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -76.25 175.65 8.84 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.416 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 4.1 m-20 55.62 21.13 4.3 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.197 -0.939 . . . . 0.0 108.941 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.91 146.9 26.59 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.457 -0.777 . . . . 0.0 109.164 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.28 169.24 12.85 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 t -92.16 145.65 24.34 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.219 -1.165 . . . . 0.0 110.031 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 2.7 t80 -155.51 118.21 4.25 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.379 -0.826 . . . . 0.0 108.803 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' A' ' 5' ' ' HIS . 16.4 ptp180 -83.52 14.84 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.182 -0.949 . . . . 0.0 109.721 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.51 151.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.641 0.734 . . . . 0.0 110.116 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.495 ' H ' ' CD1' ' A' ' 22' ' ' LEU . 2.1 mp -80.34 3.14 22.09 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.134 -0.979 . . . . 0.0 108.609 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.96 24.56 11.94 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.459 -0.775 . . . . 0.0 109.739 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.1 58.26 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.096 -1.003 . . . . 0.0 109.551 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.05 113.84 11.11 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.193 -0.942 . . . . 0.0 109.215 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.39 123.34 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.173 -0.954 . . . . 0.0 109.283 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.471 ' HA ' ' HZ1' ' A' ' 10' ' ' LYS . 2.4 mt-10 -154.9 159.21 40.3 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.12 -0.987 . . . . 0.0 109.912 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.482 ' N ' ' HZ2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -119.15 105.93 11.87 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 2.1 ttmm -82.44 177.68 8.62 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.411 -0.806 . . . . 0.0 110.066 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.509 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 21.7 m -94.93 167.68 11.26 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.228 -0.92 . . . . 0.0 109.147 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.27 -172.36 4.12 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.159 -0.963 . . . . 0.0 109.36 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.56 155.56 40.29 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.176 -0.952 . . . . 0.0 109.164 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 61.54 13.24 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.258 -0.901 . . . . 0.0 109.287 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.416 ' CE2' ' HB3' ' A' ' 15' ' ' ASN . 12.1 m-85 -128.28 116.27 19.59 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.392 -0.817 . . . . 0.0 109.243 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -99.11 -169.97 1.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.286 -0.884 . . . . 0.0 109.307 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.0 150.79 26.12 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.719 -0.613 . . . . 0.0 109.394 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.31 113.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.231 -0.918 . . . . 0.0 109.508 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.54 -94.98 0.24 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -140.1 2.63 1.93 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.249 -1.148 . . . . 0.0 109.428 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -131.9 139.46 48.77 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.9 m -69.69 135.91 50.42 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.191 -0.943 . . . . 0.0 109.296 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 m -109.13 179.31 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 121.313 -0.867 . . . . 0.0 109.536 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.37 120.62 25.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.278 -0.889 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.446 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.8 t-20 -76.14 128.88 81.95 Favored Pre-proline 0 CA--C 1.536 0.423 0 O-C-N 121.333 -0.854 . . . . 0.0 109.399 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.2 Cg_endo -90.53 -16.21 1.67 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.843 3.695 . . . . 0.0 110.121 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.467 HD22 ' HG3' ' A' ' 72' ' ' LYS . 11.4 t-20 -157.25 58.17 1.47 Allowed Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 121.349 -0.844 . . . . 0.0 109.511 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -38.37 125.9 0.92 Allowed 'Trans proline' 0 N--CA 1.483 0.871 1 C-N-CA 125.383 4.055 . . . . 0.0 110.367 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.6 t -126.41 -167.38 1.71 Allowed 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.133 -0.979 . . . . 0.0 109.317 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' C ' ' H ' ' A' ' 51' ' ' GLU . 1.8 m -109.94 -27.22 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.289 -0.882 . . . . 0.0 108.839 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -69.7 0.74 5.07 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.405 -0.809 . . . . 0.0 108.85 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.4 pt-20 -98.75 51.98 0.98 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.72 72.14 0.18 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.263 0.554 . . . . 0.0 110.491 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.419 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 4.6 t30 59.96 85.24 0.11 Allowed 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.393 -0.817 . . . . 0.0 109.131 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.26 43.8 2.66 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 107.905 -2.078 . . . . 0.0 107.905 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.12 -18.78 5.52 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 107.84 -2.104 . . . . 0.0 107.84 -178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASP . 33.3 m -111.22 112.04 23.54 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.524 -0.986 . . . . 0.0 109.149 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 18.0 t0 -30.11 141.39 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.383 0.611 . . . . 0.0 112.003 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.81 -28.75 51.65 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -91.68 -15.78 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.14 159.38 19.53 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 121.358 -0.839 . . . . 0.0 109.585 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -88.2 156.84 19.01 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.337 -0.852 . . . . 0.0 109.334 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.4 t -126.85 141.54 51.79 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.173 -0.954 . . . . 0.0 109.429 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.03 139.93 47.47 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.266 -0.896 . . . . 0.0 109.436 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -130.81 16.08 5.27 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.335 -0.853 . . . . 0.0 109.461 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.65 157.1 2.35 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.462 -0.773 . . . . 0.0 109.56 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 t70 55.89 178.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.333 -0.855 . . . . 0.0 109.818 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 t 174.21 -79.95 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.222 -0.924 . . . . 0.0 109.355 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 144.8 -115.29 0.84 Allowed Glycine 0 CA--C 1.529 0.908 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 t -128.75 -46.49 1.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.264 -1.139 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.37 18.99 2.93 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.173 -0.955 . . . . 0.0 109.474 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.65 82.76 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HG3' HD22 ' A' ' 46' ' ' ASN . 54.9 mmtt -55.36 142.26 32.93 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.227 -1.16 . . . . 0.0 109.382 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -101.61 122.32 43.64 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.168 -0.957 . . . . 0.0 109.552 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -116.17 143.77 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 121.368 -0.833 . . . . 0.0 109.005 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.88 151.62 38.16 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.185 -0.947 . . . . 0.0 109.609 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.2 m -128.13 145.07 51.13 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.303 -0.873 . . . . 0.0 109.368 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.82 113.38 5.33 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.375 -0.828 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -81.39 126.32 31.48 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.234 -0.916 . . . . 0.0 109.28 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.75 -18.55 32.71 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.236 -0.915 . . . . 0.0 109.491 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -55.07 168.58 0.51 Allowed Pre-proline 0 C--N 1.329 -0.291 0 O-C-N 121.244 -0.91 . . . . 0.0 109.34 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.44 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 13.1 Cg_endo -88.03 -42.99 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 125.191 3.928 . . . . 0.0 110.157 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.44 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 32.1 m-20 -82.23 20.49 1.04 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.22 -0.925 . . . . 0.0 109.009 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 81' ' ' PRO . 55.9 p -53.77 101.46 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 121.526 -0.734 . . . . 0.0 109.532 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -133.44 68.28 76.66 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 121.329 -0.857 . . . . 0.0 109.073 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -30.68 116.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.481 0.771 1 C-N-CA 126.367 4.711 . . . . 0.0 111.158 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.1 mt -77.33 -8.44 57.66 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -144.71 -109.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.98 17.08 22.11 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 121.62 -0.675 . . . . 0.0 109.728 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.3 -8.22 15.86 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 119.663 -1.256 . . . . 0.0 110.287 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.449 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 2.9 pt -59.94 -22.69 24.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 O-C-N 120.91 -1.347 . . . . 0.0 109.495 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.449 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 33.1 m-85 -140.84 107.24 5.27 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.115 -0.991 . . . . 0.0 109.659 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.6 m -105.34 128.07 53.29 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.243 -0.91 . . . . 0.0 109.288 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.04 122.06 10.1 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.2 -0.938 . . . . 0.0 109.439 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.9 p -92.02 -111.68 0.09 Allowed 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.221 -0.924 . . . . 0.0 109.445 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.87 -174.83 3.89 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.213 -0.929 . . . . 0.0 109.48 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.075 -0.964 . . . . 0.0 109.399 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.6 m120 . . . . . 0 CA--C 1.531 0.213 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.4 mm -62.3 -36.57 75.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.212 -0.93 . . . . 0.0 109.392 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.06 20.42 12.06 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.263 -0.898 . . . . 0.0 109.475 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -104.19 -50.7 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.289 -0.882 . . . . 0.0 109.412 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -91.62 -16.47 27.02 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.312 -0.868 . . . . 0.0 109.381 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -76.95 -161.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 171.1 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.284 -0.885 . . . . 0.0 109.264 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 t -103.55 93.7 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 121.176 -0.952 . . . . 0.0 109.56 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.36 77.89 0.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.37 -0.831 . . . . 0.0 109.403 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -149.33 -50.95 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.254 -0.904 . . . . 0.0 109.437 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.34 -176.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.191 -0.943 . . . . 0.0 109.173 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 178.98 162.68 0.71 Allowed Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 121.057 -1.027 . . . . 0.0 109.484 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -37.42 167.74 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 1 C-N-CA 126.331 4.688 . . . . 0.0 111.923 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -83.14 177.8 8.4 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.198 -0.938 . . . . 0.0 108.906 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.42 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 13.9 m120 56.11 22.4 5.95 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 121.06 -1.025 . . . . 0.0 108.577 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.4 p -153.94 131.1 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.87 166.47 16.68 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 t -78.57 164.43 24.68 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.436 -1.038 . . . . 0.0 109.539 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 6.1 t80 -170.29 105.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.263 -0.898 . . . . 0.0 109.069 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 38.1 ttp85 -105.9 77.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.17 -0.956 . . . . 0.0 109.339 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 88.3 m-70 -155.41 -178.75 7.49 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.418 -0.801 . . . . 0.0 109.911 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.4 mt 70.9 -46.07 0.63 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.068 0.461 . . . . 0.0 110.222 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -117.76 13.26 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.161 -0.962 . . . . 0.0 108.646 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 53.62 22.87 3.26 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.24 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -127.96 154.52 45.48 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.349 -0.845 . . . . 0.0 109.6 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.18 127.66 33.38 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.37 -0.831 . . . . 0.0 109.66 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -140.24 179.17 6.8 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.316 -0.865 . . . . 0.0 109.38 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -135.59 109.65 8.25 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.297 -0.877 . . . . 0.0 109.19 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 9.1 tttt -97.7 161.66 13.65 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.273 -0.892 . . . . 0.0 108.825 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.474 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -76.73 158.64 30.81 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 120.96 -1.088 . . . . 0.0 109.85 -179.664 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.3 mt -73.42 -164.89 0.22 Allowed 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.424 -0.798 . . . . 0.0 109.86 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.76 153.23 41.22 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.415 -0.803 . . . . 0.0 109.508 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 61.95 11.73 4.39 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.282 -0.886 . . . . 0.0 109.411 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 15' ' ' ASN . 11.9 m-85 -123.17 120.11 32.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.48 -0.763 . . . . 0.0 108.965 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -103.27 -174.27 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.13 -0.981 . . . . 0.0 109.589 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.81 146.68 28.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.482 -0.761 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -151.02 78.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.262 -0.899 . . . . 0.0 109.435 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.71 -102.23 2.55 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -122.98 7.91 9.28 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.207 -1.172 . . . . 0.0 109.328 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -139.56 129.57 25.0 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.209 -0.932 . . . . 0.0 109.461 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.2 m -72.74 145.64 46.98 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.259 -0.901 . . . . 0.0 109.245 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 m -120.79 179.93 2.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 O-C-N 121.135 -0.978 . . . . 0.0 109.556 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.55 121.14 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.287 -0.883 . . . . 0.0 109.46 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -86.82 122.08 71.58 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 121.338 -0.851 . . . . 0.0 109.326 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -90.58 -16.98 1.49 Allowed 'Trans proline' 0 N--CA 1.479 0.62 0 C-N-CA 124.713 3.609 . . . . 0.0 110.277 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.01 87.29 6.24 Favored Pre-proline 0 CA--C 1.532 0.276 0 O-C-N 121.239 -0.913 . . . . 0.0 109.408 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -90.98 151.15 3.89 Favored 'Trans proline' 0 N--CA 1.476 0.495 1 C-N-CA 125.504 4.136 . . . . 0.0 110.329 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 49' ' ' CYS . 9.5 t -144.77 -129.09 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.191 -0.943 . . . . 0.0 109.51 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.451 ' N ' ' CG2' ' A' ' 48' ' ' THR . 3.2 m -137.02 -36.6 0.67 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -68.27 -1.77 6.91 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.451 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 5.1 mm-40 -90.96 50.72 1.83 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.92 70.11 0.31 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.149 0.499 . . . . 0.0 110.152 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 5.2 t-20 60.75 81.26 0.19 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.91 45.69 3.51 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 121.83 -15.01 9.04 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 108.206 -1.958 . . . . 0.0 108.206 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ASP . 26.5 m -110.84 110.05 20.5 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.431 -1.041 . . . . 0.0 108.79 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' CYS . 17.2 t0 -27.73 138.08 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 121.361 0.6 . . . . 0.0 111.888 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.53 -30.2 40.5 Favored 'General case' 0 CA--C 1.528 0.126 0 O-C-N 121.477 -0.765 . . . . 0.0 109.042 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -90.23 -15.84 30.57 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.494 -0.754 . . . . 0.0 109.043 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.58 166.12 15.66 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.303 -0.873 . . . . 0.0 109.462 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -91.09 169.0 11.23 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.401 -0.812 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 51.3 t -136.69 144.52 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.288 -0.883 . . . . 0.0 109.381 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.61 140.11 48.07 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.192 -0.942 . . . . 0.0 109.308 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.13 -6.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.341 -0.85 . . . . 0.0 109.48 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -82.68 60.64 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.284 -0.885 . . . . 0.0 109.319 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -157.68 -139.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.288 -0.882 . . . . 0.0 109.41 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.17 149.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.242 -0.911 . . . . 0.0 109.595 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.54 -37.83 0.02 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -174.25 2.48 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.283 -1.128 . . . . 0.0 109.341 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.16 -47.19 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.167 -0.958 . . . . 0.0 109.47 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.82 -100.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.921 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.472 ' H ' ' HD2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -99.88 156.48 17.11 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.231 -1.158 . . . . 0.0 109.472 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -129.35 107.31 9.42 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.344 -0.848 . . . . 0.0 109.456 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -144.91 148.59 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 121.277 -0.889 . . . . 0.0 109.536 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 m -137.17 163.61 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.297 -0.877 . . . . 0.0 109.397 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.7 m -131.84 138.31 48.44 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.265 -0.897 . . . . 0.0 109.529 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -135.47 98.43 3.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.333 -0.854 . . . . 0.0 109.324 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.29 83.68 1.9 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.228 -0.92 . . . . 0.0 109.605 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 t -81.36 39.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.222 -0.924 . . . . 0.0 109.08 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 7.8 mttt -106.44 175.85 1.91 Allowed Pre-proline 0 C--N 1.329 -0.302 0 O-C-N 121.416 -0.803 . . . . 0.0 109.318 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 11.3 Cg_endo -87.43 138.42 4.62 Favored 'Trans proline' 0 N--CA 1.476 0.475 0 C-N-CA 125.239 3.959 . . . . 0.0 109.805 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.07 5.36 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.338 -0.851 . . . . 0.0 109.306 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.7 p -65.22 110.53 2.6 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.288 -0.882 . . . . 0.0 109.331 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -131.5 79.9 68.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.283 -0.885 . . . . 0.0 109.539 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -30.8 112.23 0.04 OUTLIER 'Trans proline' 0 N--CA 1.482 0.824 1 C-N-CA 125.978 4.452 . . . . 0.0 111.221 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 14.0 mt -73.03 -34.77 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -113.67 -105.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.02 23.9 12.15 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.615 -0.678 . . . . 0.0 109.909 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 114.97 -14.28 19.4 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 119.64 -1.267 . . . . 0.0 110.432 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.447 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 9.6 pt -56.87 -28.22 27.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 O-C-N 120.905 -1.35 . . . . 0.0 109.275 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 26.3 m-85 -136.39 104.64 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.258 -0.901 . . . . 0.0 109.513 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.1 m -113.62 96.8 6.06 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.181 -0.949 . . . . 0.0 109.36 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.46 164.91 26.86 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.196 -0.94 . . . . 0.0 109.365 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -161.92 -87.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.22 -0.925 . . . . 0.0 109.391 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.7 p -132.49 -149.09 0.36 Allowed 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.225 -0.922 . . . . 0.0 109.5 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.477 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.0 t30 . . . . . 0 CA--C 1.531 0.214 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -142.78 147.48 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 O-C-N 121.226 -0.921 . . . . 0.0 109.373 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.76 -6.72 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.24 -0.912 . . . . 0.0 109.49 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -138.99 -178.61 5.41 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.243 -0.911 . . . . 0.0 109.419 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -80.59 56.45 2.62 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.273 -0.892 . . . . 0.0 109.517 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -103.91 -5.32 22.41 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.256 -0.902 . . . . 0.0 109.385 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 65.54 149.98 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.235 -0.916 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.8 t -57.4 -96.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 O-C-N 121.359 -0.838 . . . . 0.0 109.675 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 tttm -124.83 -75.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.222 -0.924 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.433 ' HZ3' ' HB3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER 71.56 -45.4 0.62 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.77 -0.581 . . . . 0.0 109.81 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.48 56.8 1.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.008 -1.058 . . . . 0.0 109.533 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m -66.29 174.35 1.78 Allowed Pre-proline 0 CA--C 1.532 0.286 0 O-C-N 121.267 -0.896 . . . . 0.0 109.022 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -87.27 -178.24 2.38 Favored 'Trans proline' 0 N--CA 1.478 0.594 0 C-N-CA 125.247 3.964 . . . . 0.0 110.477 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.08 174.51 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.284 -0.885 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.6 m120 56.41 19.74 4.26 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.205 -0.934 . . . . 0.0 109.284 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 1.9 p -156.0 136.31 13.05 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.326 -0.859 . . . . 0.0 109.346 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.23 161.8 12.84 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.92 139.31 39.21 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.376 -1.073 . . . . 0.0 109.32 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.503 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 43.6 t80 -143.75 131.99 21.95 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.155 -0.965 . . . . 0.0 109.542 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -83.89 116.04 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.253 -0.904 . . . . 0.0 109.093 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.02 139.87 33.21 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.349 -0.844 . . . . 0.0 109.556 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.526 ' CD2' ' H ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -65.69 -8.33 20.25 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.291 -0.881 . . . . 0.0 109.012 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.11 30.35 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.379 -0.826 . . . . 0.0 109.391 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 63.25 39.11 9.9 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.221 -0.924 . . . . 0.0 109.56 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -127.74 177.66 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.248 -0.907 . . . . 0.0 109.374 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HB3' ' HZ3' ' A' ' 10' ' ' LYS . 1.5 mt-10 -132.52 136.9 46.94 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.205 -0.935 . . . . 0.0 109.568 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -162.3 159.56 25.66 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.299 -0.876 . . . . 0.0 109.298 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.7 m -105.27 120.24 41.06 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.242 -0.911 . . . . 0.0 109.256 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 136.74 43.44 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.167 -0.958 . . . . 0.0 109.099 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 3.3 m -55.14 155.07 5.03 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.218 -0.926 . . . . 0.0 109.63 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.3 mt -68.26 -166.01 0.06 Allowed 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.254 -0.904 . . . . 0.0 109.832 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.95 158.69 34.99 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.341 -0.849 . . . . 0.0 109.594 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 57.23 17.55 3.68 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.294 -0.879 . . . . 0.0 109.399 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -130.22 119.06 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.36 -0.838 . . . . 0.0 109.509 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.52 -173.51 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.185 -0.947 . . . . 0.0 109.164 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -119.54 134.55 55.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.548 -0.72 . . . . 0.0 109.575 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -136.03 75.26 1.54 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.327 -0.858 . . . . 0.0 109.34 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.02 -89.71 1.22 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.1 3.76 2.21 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.223 -1.163 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.94 118.54 21.81 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.353 -0.842 . . . . 0.0 109.122 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.6 m -69.85 147.43 50.35 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.151 -0.968 . . . . 0.0 109.449 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.3 m -125.73 179.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 O-C-N 121.268 -0.895 . . . . 0.0 109.26 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.68 138.61 41.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.215 -0.928 . . . . 0.0 109.524 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -115.18 120.46 36.73 Favored Pre-proline 0 CA--C 1.536 0.43 0 O-C-N 121.301 -0.874 . . . . 0.0 109.343 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -90.38 -17.12 1.55 Allowed 'Trans proline' 0 N--CA 1.478 0.562 0 C-N-CA 124.709 3.606 . . . . 0.0 110.222 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.29 85.15 39.4 Favored Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.242 -0.911 . . . . 0.0 109.323 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -90.3 142.37 3.62 Favored 'Trans proline' 0 N--CA 1.477 0.529 1 C-N-CA 125.523 4.149 . . . . 0.0 110.41 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 t -137.7 -165.32 1.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.252 -0.905 . . . . 0.0 109.263 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.402 ' C ' ' H ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -111.79 -27.33 8.54 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.261 -0.9 . . . . 0.0 108.794 179.771 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -69.95 0.48 5.86 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.5 pt-20 -97.86 51.36 1.05 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p30 41.95 71.96 0.19 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.214 0.53 . . . . 0.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 6.5 t-20 60.32 84.64 0.12 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.726 0.774 . . . . 0.0 109.189 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.94 42.18 2.97 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.95 -17.0 6.38 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 107.846 -2.102 . . . . 0.0 107.846 -178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ASP . 24.5 m -110.74 112.62 24.62 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.507 -0.996 . . . . 0.0 108.612 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' CYS . 6.5 t0 -29.29 140.14 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.209 0.528 . . . . 0.0 111.765 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.38 -30.5 40.16 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -93.8 -14.63 25.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.405 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -79.58 174.36 11.66 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.269 -0.895 . . . . 0.0 109.357 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.64 156.8 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 25.0 t -128.75 143.07 50.83 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.078 -1.014 . . . . 0.0 109.732 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.36 141.56 45.58 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.34 -0.85 . . . . 0.0 109.391 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.01 14.55 4.26 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -53.64 138.36 34.95 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.403 -0.811 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -54.3 168.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.336 -0.853 . . . . 0.0 109.537 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 t -172.38 -24.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.343 -0.848 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.91 -11.72 0.04 OUTLIER Glycine 0 CA--C 1.529 0.929 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.05 -162.55 0.27 Allowed 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.265 -1.138 . . . . 0.0 109.53 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 55.35 48.56 18.86 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.302 -0.874 . . . . 0.0 109.439 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.94 112.42 1.76 Allowed Glycine 0 CA--C 1.529 0.937 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -54.96 103.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.237 -1.155 . . . . 0.0 109.371 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -76.92 118.61 19.68 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.305 -0.872 . . . . 0.0 109.531 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.1 mm -113.89 112.78 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 O-C-N 121.236 -0.915 . . . . 0.0 109.274 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.59 163.14 12.39 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.223 -0.923 . . . . 0.0 109.53 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 56.4 m -137.12 126.38 24.73 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.258 -0.901 . . . . 0.0 109.568 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -122.61 96.45 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.286 -0.884 . . . . 0.0 108.796 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 95.3 m -53.05 116.1 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.392 -0.818 . . . . 0.0 110.269 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 t -78.91 6.71 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.419 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -58.49 177.25 0.24 Allowed Pre-proline 0 C--N 1.332 -0.18 0 O-C-N 121.541 -0.725 . . . . 0.0 109.222 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 9.8 Cg_endo -84.45 -85.75 0.0 OUTLIER 'Trans proline' 0 N--CA 1.476 0.443 0 C-N-CA 124.9 3.733 . . . . 0.0 109.842 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.89 -27.17 60.3 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 42.88 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.099 0.476 . . . . 0.0 110.965 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -129.21 70.98 82.02 Favored Pre-proline 0 C--N 1.332 -0.19 0 O-C-N 120.828 -1.17 . . . . 0.0 110.2 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -37.05 113.36 0.11 Allowed 'Trans proline' 0 N--CA 1.481 0.759 1 C-N-CA 125.486 4.124 . . . . 0.0 110.044 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.05 -59.11 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.14 -0.975 . . . . 0.0 108.467 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.426 ' CD2' HD13 ' A' ' 90' ' ' ILE . 84.2 m-85 -92.94 -102.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.75 21.02 12.16 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.167 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.17 -20.06 6.33 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 119.577 -1.297 . . . . 0.0 110.7 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.426 HD13 ' CD2' ' A' ' 87' ' ' PHE . 5.7 pt -55.47 -37.99 47.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 O-C-N 120.938 -1.331 . . . . 0.0 109.491 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.503 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 9.9 m-85 -132.2 133.94 44.77 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.205 -0.934 . . . . 0.0 109.216 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.38 152.95 25.63 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.145 -0.972 . . . . 0.0 109.141 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.46 176.54 6.11 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.197 -0.939 . . . . 0.0 109.734 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.1 p -163.53 176.54 9.62 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.336 -0.853 . . . . 0.0 109.176 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.4 p -160.73 143.47 12.94 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.162 -0.961 . . . . 0.0 109.465 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.5 m120 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.36 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 mm -117.29 70.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 121.211 -0.93 . . . . 0.0 109.427 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -154.42 104.6 2.59 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.171 -0.955 . . . . 0.0 109.527 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -84.46 -61.81 1.71 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.226 -0.921 . . . . 0.0 109.394 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 6' ' ' GLN . 4.7 p-80 -54.99 -32.83 62.05 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.268 -0.895 . . . . 0.0 109.237 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.403 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 0.5 OUTLIER 59.48 68.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.313 -0.867 . . . . 0.0 109.822 179.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.17 120.69 11.4 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.131 -0.981 . . . . 0.0 108.898 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.467 HG21 ' H ' ' A' ' 9' ' ' LYS . 2.6 m -80.7 -44.03 21.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 O-C-N 121.196 -0.94 . . . . 0.0 109.969 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' H ' HG21 ' A' ' 8' ' ' VAL . 6.6 tttt -165.78 100.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.128 -0.983 . . . . 0.0 109.288 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.85 138.91 25.96 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.314 -0.867 . . . . 0.0 109.641 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.28 -90.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.247 -0.908 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.5 t 66.54 122.17 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.644 0 O-C-N 121.492 -0.755 . . . . 0.0 109.136 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -89.73 178.6 2.33 Favored 'Trans proline' 0 N--CA 1.483 0.871 0 C-N-CA 124.68 3.587 . . . . 0.0 111.592 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -59.62 -179.33 0.09 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.486 -0.759 . . . . 0.0 109.354 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 55.02 25.49 6.99 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t 177.6 142.36 0.09 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.533 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -120.01 174.08 15.45 Favored Glycine 0 CA--C 1.533 1.194 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.15 168.3 13.37 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.14 -1.212 . . . . 0.0 109.747 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -162.21 122.27 2.46 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.307 -0.871 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -70.62 115.29 9.61 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.298 -0.876 . . . . 0.0 109.367 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.406 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.78 139.63 38.88 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.279 -0.888 . . . . 0.0 109.467 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.412 ' H ' ' CD1' ' A' ' 22' ' ' LEU . 6.6 mp -64.05 -8.34 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.294 -0.879 . . . . 0.0 109.235 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.22 36.17 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.276 -0.89 . . . . 0.0 109.399 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 57.68 41.47 25.3 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.243 -0.911 . . . . 0.0 109.496 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -131.3 178.24 6.86 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.255 -0.903 . . . . 0.0 109.388 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -132.56 131.2 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.242 -0.911 . . . . 0.0 109.52 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 2.7 mt-10 -146.33 159.17 43.71 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.332 -0.855 . . . . 0.0 109.31 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.65 110.13 22.08 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.21 -0.931 . . . . 0.0 108.872 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 7.6 ttmt -100.08 161.87 13.33 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 121.307 -0.871 . . . . 0.0 109.324 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.482 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.8 m -90.27 176.69 6.65 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 120.973 -1.079 . . . . 0.0 110.096 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.8 mt -79.67 -164.94 0.72 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.339 -0.851 . . . . 0.0 109.933 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.45 150.57 41.56 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.36 -0.838 . . . . 0.0 109.977 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 53.86 21.42 2.77 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.404 -0.81 . . . . 0.0 110.033 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -117.09 163.6 16.01 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.154 -0.966 . . . . 0.0 109.302 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.08 179.74 5.82 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.465 -0.772 . . . . 0.0 109.229 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -112.47 127.94 56.19 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.321 -0.862 . . . . 0.0 109.43 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -123.61 94.56 4.28 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.251 -0.905 . . . . 0.0 109.531 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.5 -95.42 0.38 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -127.5 13.75 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.215 -1.168 . . . . 0.0 109.474 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.18 116.8 9.73 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.285 -0.884 . . . . 0.0 109.607 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 95.1 m -70.55 152.65 43.73 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.171 -0.955 . . . . 0.0 109.113 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.3 m -133.34 -178.73 2.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 O-C-N 121.109 -0.994 . . . . 0.0 110.019 -179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.06 126.19 29.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.379 -0.826 . . . . 0.0 109.434 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.46 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 8.7 t-20 -104.46 131.82 21.52 Favored Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 121.247 -0.908 . . . . 0.0 109.39 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.8 Cg_endo -92.56 -15.06 1.17 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 124.763 3.642 . . . . 0.0 110.052 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -137.29 93.59 12.85 Favored Pre-proline 0 CA--C 1.534 0.347 0 O-C-N 121.35 -0.844 . . . . 0.0 110.029 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -91.3 178.93 1.68 Allowed 'Trans proline' 0 N--CA 1.478 0.569 1 C-N-CA 125.429 4.086 . . . . 0.0 109.874 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.412 ' CG2' ' HB2' ' A' ' 51' ' ' GLU . 14.9 t -162.73 -147.23 0.12 Allowed 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.019 -1.051 . . . . 0.0 109.992 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 76.9 m -149.37 -45.22 0.14 Allowed 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -68.79 4.71 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.551 -0.718 . . . . 0.0 110.116 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' HB2' ' CG2' ' A' ' 48' ' ' THR . 75.5 mt-10 -107.08 62.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.051 -1.031 . . . . 0.0 108.837 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.41 73.03 0.13 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.143 0.497 . . . . 0.0 110.053 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.477 HD21 ' C ' ' A' ' 56' ' ' CYS . 0.1 OUTLIER 65.41 96.15 0.05 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 122.618 1.199 . . . . 0.0 108.598 -179.554 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.59 21.67 31.47 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 107.885 -2.086 . . . . 0.0 107.885 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 136.61 -8.07 3.95 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 108.211 -1.956 . . . . 0.0 108.211 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.477 ' C ' HD21 ' A' ' 53' ' ' ASN . 73.1 m -111.66 138.72 47.86 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.339 -1.095 . . . . 0.0 109.147 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.463 ' HA ' ' HZ2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -40.57 144.86 0.21 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.104 0.478 . . . . 0.0 110.393 -179.261 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.32 -35.38 37.75 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.537 -0.727 . . . . 0.0 109.886 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.408 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -97.2 5.25 50.42 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.235 -0.916 . . . . 0.0 109.672 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.59 140.54 29.35 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.093 -1.004 . . . . 0.0 109.691 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -70.24 103.35 2.34 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.261 -0.899 . . . . 0.0 109.046 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.9 t -85.73 142.0 29.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.422 -0.799 . . . . 0.0 109.234 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.69 143.1 43.21 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.141 -0.975 . . . . 0.0 109.794 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -143.43 8.86 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.343 -0.848 . . . . 0.0 109.426 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -62.01 -177.92 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.229 -0.919 . . . . 0.0 109.701 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.0 t0 53.89 -129.8 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.456 -0.778 . . . . 0.0 109.658 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m 65.57 -179.38 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.16 -0.963 . . . . 0.0 109.425 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.46 -77.95 1.34 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.7 m -59.97 -173.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.325 -1.103 . . . . 0.0 109.557 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -41.21 70.67 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.23 -0.918 . . . . 0.0 109.434 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -115.38 -117.21 3.11 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.24 155.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.422 -1.046 . . . . 0.0 109.688 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.33 117.93 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.453 -0.779 . . . . 0.0 109.962 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 74' ' ' ILE . 17.0 mm -136.01 149.47 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 121.054 -1.029 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.49 142.36 43.53 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.257 -0.902 . . . . 0.0 109.409 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 57.6 m -117.23 115.04 24.52 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.243 -0.911 . . . . 0.0 109.263 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -123.95 94.17 4.15 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.107 -0.995 . . . . 0.0 109.442 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.38 96.54 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.19 -0.944 . . . . 0.0 109.053 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.2 t -84.99 42.16 0.91 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.256 -0.902 . . . . 0.0 109.817 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -111.25 170.94 4.74 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 121.082 -1.011 . . . . 0.0 109.305 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -86.29 -53.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.578 0 C-N-CA 125.169 3.912 . . . . 0.0 109.78 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -81.1 15.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.356 -0.84 . . . . 0.0 108.791 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.05 115.36 6.02 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.458 -0.776 . . . . 0.0 109.45 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -138.65 70.97 44.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 121.257 -0.902 . . . . 0.0 109.161 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -31.33 120.29 0.08 OUTLIER 'Trans proline' 0 N--CA 1.48 0.713 1 C-N-CA 126.167 4.578 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.3 mt -82.58 -30.6 29.47 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -110.72 -101.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.51 25.96 6.41 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.229 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.66 23.65 5.28 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 119.503 -1.332 . . . . 0.0 110.539 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.452 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -107.84 -14.92 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 O-C-N 120.953 -1.322 . . . . 0.0 109.315 179.581 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.452 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 20.3 m-85 -132.74 65.51 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.236 -0.915 . . . . 0.0 109.908 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 52.83 2.62 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.081 -1.012 . . . . 0.0 109.152 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 m -53.84 163.66 0.69 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.283 -0.886 . . . . 0.0 109.563 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.06 -75.41 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.3 -0.875 . . . . 0.0 109.359 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.0 p -124.87 -103.3 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.262 -0.899 . . . . 0.0 109.429 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.38 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.1 mm -107.83 134.74 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 O-C-N 121.306 -0.871 . . . . 0.0 109.442 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -104.19 -61.58 1.43 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.253 -0.904 . . . . 0.0 109.488 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.434 ' H ' ' HB2' ' A' ' 94' ' ' SER . 2.7 mm-40 -123.87 -171.81 2.4 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.18 -0.95 . . . . 0.0 109.437 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 55.62 92.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.325 -0.859 . . . . 0.0 109.466 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -140.64 32.59 1.83 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.277 -0.889 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.462 ' HB2' ' HZ3' ' A' ' 10' ' ' LYS . 26.2 p -56.78 139.24 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.267 -0.896 . . . . 0.0 109.364 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.86 147.19 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 O-C-N 121.264 -0.898 . . . . 0.0 109.52 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt 54.72 62.25 2.62 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.246 -0.909 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HZ3' ' HB2' ' A' ' 7' ' ' CYS . 0.1 OUTLIER -128.68 -58.27 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.226 -0.921 . . . . 0.0 109.552 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 55.58 62.03 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.283 -0.885 . . . . 0.0 109.173 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 m -68.1 173.08 3.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.258 -0.901 . . . . 0.0 109.222 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -90.07 160.57 4.84 Favored 'Trans proline' 0 N--CA 1.478 0.599 1 C-N-CA 125.552 4.168 . . . . 0.0 110.438 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -54.83 172.23 0.11 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 121.284 -0.885 . . . . 0.0 109.373 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 m120 55.0 35.52 24.84 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.267 -0.895 . . . . 0.0 109.036 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -168.6 116.94 0.69 Allowed 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.319 -0.863 . . . . 0.0 109.562 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.97 155.51 22.0 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 155.48 22.85 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.207 -1.173 . . . . 0.0 109.61 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -160.58 132.08 5.79 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.298 -0.876 . . . . 0.0 109.427 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -82.58 117.49 22.6 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.313 -0.867 . . . . 0.0 109.114 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.94 133.14 43.13 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.361 -0.837 . . . . 0.0 109.608 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 4.5 mm? -59.12 -15.24 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.371 -0.831 . . . . 0.0 109.485 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.41 30.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.3 -0.875 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.76 37.65 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.229 -0.919 . . . . 0.0 109.66 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -127.83 177.89 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.193 -0.942 . . . . 0.0 109.225 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -135.41 136.82 41.7 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.212 -0.93 . . . . 0.0 109.596 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -160.76 161.01 31.99 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.213 -0.929 . . . . 0.0 109.589 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.8 m -112.04 119.3 37.98 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.326 -0.859 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -98.41 141.88 30.73 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.126 -0.984 . . . . 0.0 108.72 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 m -59.56 160.93 6.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 120.952 -1.093 . . . . 0.0 109.829 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 mt -68.43 -168.1 0.11 Allowed 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.318 -0.864 . . . . 0.0 109.643 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.6 mt -72.97 155.61 39.67 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.316 -0.865 . . . . 0.0 109.53 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m120 56.9 18.14 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.31 -0.869 . . . . 0.0 109.441 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -124.85 117.33 23.89 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.319 -0.863 . . . . 0.0 108.959 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -102.13 -173.06 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.078 -1.014 . . . . 0.0 109.619 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -108.92 146.58 33.55 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.55 -0.719 . . . . 0.0 109.442 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -156.58 69.34 0.61 Allowed 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.196 -0.94 . . . . 0.0 109.365 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.58 -103.35 2.23 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -126.82 2.13 6.68 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.236 -1.155 . . . . 0.0 109.4 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -133.62 134.48 43.28 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.288 -0.883 . . . . 0.0 109.375 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.4 m -73.44 139.19 45.67 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.139 -0.976 . . . . 0.0 109.376 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.1 m -114.24 -179.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 121.204 -0.935 . . . . 0.0 109.468 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.4 135.34 44.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.279 -0.888 . . . . 0.0 109.244 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -102.5 111.41 64.61 Favored Pre-proline 0 CA--C 1.534 0.334 0 O-C-N 121.257 -0.902 . . . . 0.0 109.602 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -87.87 -14.29 3.6 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 124.82 3.68 . . . . 0.0 109.76 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -146.19 82.53 9.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 121.495 -0.753 . . . . 0.0 109.125 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -89.01 159.31 5.87 Favored 'Trans proline' 0 N--CA 1.478 0.578 1 C-N-CA 125.467 4.112 . . . . 0.0 110.033 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.8 t -149.47 -172.83 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.157 -0.964 . . . . 0.0 109.886 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 87.2 m -112.5 -31.26 6.85 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.42 -0.8 . . . . 0.0 108.887 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -58.98 -14.8 10.31 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.318 -0.863 . . . . 0.0 109.114 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -76.72 59.43 1.55 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 42.14 57.78 3.17 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.974 0.416 . . . . 0.0 111.566 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.503 HD21 ' CA ' ' A' ' 58' ' ' ALA . 7.1 t30 66.06 69.26 0.44 Allowed 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.16 -0.962 . . . . 0.0 109.547 178.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.97 -43.0 6.12 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.94 -20.55 67.63 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.472 ' HB3' HD22 ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.62 160.33 17.33 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.171 -1.194 . . . . 0.0 110.372 -179.788 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.41 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.5 OUTLIER -52.17 -91.73 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.566 -0.709 . . . . 0.0 109.747 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.503 ' CA ' HD21 ' A' ' 53' ' ' ASN . . . -151.68 -13.23 0.2 Allowed 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.269 -0.895 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -126.16 -15.36 5.79 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.204 -0.935 . . . . 0.0 109.551 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.52 176.65 4.55 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.217 -0.927 . . . . 0.0 109.495 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -103.21 122.9 45.7 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.221 -0.924 . . . . 0.0 109.509 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.8 t -93.79 155.04 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.354 -0.841 . . . . 0.0 109.436 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.24 152.89 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.127 -0.983 . . . . 0.0 109.564 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -143.04 3.81 1.41 Allowed 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.19 -0.944 . . . . 0.0 109.524 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.4 177.0 4.85 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.29 -0.882 . . . . 0.0 109.534 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 64.8 143.06 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.359 -0.838 . . . . 0.0 109.996 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.99 163.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.229 -0.919 . . . . 0.0 109.474 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.89 148.54 0.36 Allowed Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.3 t -80.12 -47.78 14.23 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.247 -1.149 . . . . 0.0 109.473 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -105.23 -58.31 1.91 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.197 -0.939 . . . . 0.0 109.427 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -143.23 -112.65 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.8 176.91 0.05 Allowed 'General case' 0 CA--C 1.53 0.205 0 O-C-N 121.364 -1.08 . . . . 0.0 109.579 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.66 121.43 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.511 -0.743 . . . . 0.0 109.675 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.8 mm -131.34 107.56 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 121.074 -1.016 . . . . 0.0 109.712 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.78 150.96 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.342 -0.849 . . . . 0.0 108.951 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -135.68 154.22 51.35 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.209 -0.932 . . . . 0.0 109.988 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -152.18 105.69 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.1 m -74.76 123.33 24.77 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.243 -0.91 . . . . 0.0 109.67 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.7 t -85.48 24.56 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.293 -0.879 . . . . 0.0 109.152 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -87.93 168.51 16.59 Favored Pre-proline 0 C--N 1.329 -0.296 0 O-C-N 121.374 -0.829 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -83.51 128.28 4.66 Favored 'Trans proline' 0 N--CA 1.479 0.636 0 C-N-CA 124.881 3.721 . . . . 0.0 109.472 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 t0 72.63 -53.52 0.7 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.411 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER 62.16 152.15 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.652 0.739 . . . . 0.0 110.174 179.22 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.414 ' CD2' ' HA ' ' A' ' 94' ' ' SER . 59.3 m-85 -155.37 99.9 2.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 121.341 -0.85 . . . . 0.0 108.816 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -86.96 116.09 1.24 Allowed 'Trans proline' 0 N--CA 1.478 0.591 0 C-N-CA 125.128 3.885 . . . . 0.0 110.579 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.4 mt -78.73 -8.66 58.94 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -144.55 -110.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.82 25.64 11.56 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 121.55 -0.718 . . . . 0.0 109.71 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.21 14.53 30.47 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 119.701 -1.238 . . . . 0.0 110.113 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -94.45 8.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 O-C-N 121.047 -1.267 . . . . 0.0 109.304 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -153.05 43.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.355 -0.84 . . . . 0.0 109.215 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.3 m -53.44 116.43 2.45 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.367 -0.833 . . . . 0.0 109.6 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 m -146.21 -112.43 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.325 -0.859 . . . . 0.0 109.428 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.434 ' HB2' ' H ' ' A' ' 4' ' ' GLN . 2.7 t -137.31 -37.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.225 -0.922 . . . . 0.0 109.545 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 m 59.25 -154.28 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.251 -0.906 . . . . 0.0 109.377 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.458 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 mm -103.27 151.83 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 O-C-N 121.246 -0.909 . . . . 0.0 109.408 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -109.9 -107.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.289 -0.882 . . . . 0.0 109.495 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.42 -10.65 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.195 -0.941 . . . . 0.0 109.553 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -72.88 5.38 3.29 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.246 -0.909 . . . . 0.0 109.318 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 89.33 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.285 -0.884 . . . . 0.0 109.313 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.59 139.32 38.66 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.341 -0.85 . . . . 0.0 109.439 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.432 ' H ' HG21 ' A' ' 8' ' ' VAL . 28.9 m -91.82 -49.24 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.159 -0.963 . . . . 0.0 109.605 -179.872 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -135.8 30.65 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.222 -0.924 . . . . 0.0 109.505 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.08 162.94 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.12 -0.988 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -156.47 108.07 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.237 -0.915 . . . . 0.0 109.307 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 172.32 5.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 121.307 -0.871 . . . . 0.0 109.197 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -90.6 170.15 3.72 Favored 'Trans proline' 0 N--CA 1.476 0.465 1 C-N-CA 125.544 4.162 . . . . 0.0 110.229 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -55.29 174.5 0.09 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.259 -0.901 . . . . 0.0 109.265 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 55.34 22.89 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.146 -0.971 . . . . 0.0 109.202 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 35.9 t -167.86 148.31 5.1 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.203 -0.936 . . . . 0.0 110.021 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.33 -175.12 13.92 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.97 138.1 31.71 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.112 -1.228 . . . . 0.0 109.666 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 1.6 t80 -144.99 44.8 1.35 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.818 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.482 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 12.3 ttm180 -87.91 81.26 7.57 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.299 -0.875 . . . . 0.0 109.411 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.518 ' H ' ' HB2' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -148.67 -164.78 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.015 -1.053 . . . . 0.0 109.563 179.458 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.437 ' HG ' ' CG ' ' A' ' 21' ' ' HIS . 3.6 mt 72.18 -52.57 0.7 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.28 13.91 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.768 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 57.2 30.14 17.86 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.731 -0.606 . . . . 0.0 109.436 -179.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.38 48.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.228 -0.92 . . . . 0.0 109.752 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HB2' ' H ' ' A' ' 21' ' ' HIS . 4.9 mm-40 -84.52 -110.0 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.258 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.39 176.5 0.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 O-C-N 120.805 -1.184 . . . . 0.0 109.759 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.1 m -73.55 132.7 43.13 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.309 -0.869 . . . . 0.0 109.49 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -108.47 134.95 50.55 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.288 -0.883 . . . . 0.0 108.806 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 2.6 m -61.59 167.38 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.049 -1.032 . . . . 0.0 109.764 -179.51 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 87' ' ' PHE . 78.3 mt -80.41 -164.49 0.71 Allowed 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.24 -0.913 . . . . 0.0 109.89 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.3 158.75 35.34 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.35 -0.844 . . . . 0.0 109.609 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m120 56.0 18.59 3.19 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.271 -0.893 . . . . 0.0 109.706 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -128.33 149.03 50.69 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.234 -0.916 . . . . 0.0 109.338 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 13.3 ptmt -129.72 -176.18 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.315 -0.865 . . . . 0.0 108.862 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -116.71 141.46 48.17 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.356 -0.84 . . . . 0.0 109.499 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -159.21 103.97 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.187 -0.946 . . . . 0.0 109.472 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.39 -100.51 2.36 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -134.83 -0.11 2.87 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.226 -1.161 . . . . 0.0 109.421 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -131.72 150.35 52.18 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.247 -0.908 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.6 m -86.25 147.37 26.12 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.032 -1.043 . . . . 0.0 109.482 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.404 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 22.4 m -124.83 -179.69 2.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 O-C-N 121.234 -0.916 . . . . 0.0 109.482 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.63 144.75 54.39 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.141 -0.974 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -123.75 68.4 42.91 Favored Pre-proline 0 CA--C 1.53 0.182 0 O-C-N 121.241 -0.912 . . . . 0.0 109.815 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -34.49 -33.59 0.08 OUTLIER 'Trans proline' 0 N--CA 1.482 0.814 1 C-N-CA 125.879 4.386 . . . . 0.0 110.559 179.502 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -135.66 91.59 17.97 Favored Pre-proline 0 CA--C 1.533 0.309 0 O-C-N 121.272 -0.893 . . . . 0.0 109.345 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -89.39 154.44 5.45 Favored 'Trans proline' 0 N--CA 1.478 0.612 1 C-N-CA 125.36 4.04 . . . . 0.0 110.485 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.2 t -137.24 -175.2 3.97 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.308 -0.87 . . . . 0.0 109.635 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.41 ' C ' ' H ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -113.25 -25.52 8.83 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.311 -0.868 . . . . 0.0 108.946 179.789 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -68.89 -0.65 5.79 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.298 -0.876 . . . . 0.0 108.758 179.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.6 pt-20 -95.31 49.83 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 179.363 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 42.03 71.91 0.19 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.199 0.524 . . . . 0.0 110.272 -179.093 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 7.8 t-20 59.68 82.29 0.15 Allowed 'General case' 0 N--CA 1.464 0.251 0 O-C-N 121.448 -0.782 . . . . 0.0 108.968 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.67 -41.71 64.0 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 108.036 -2.026 . . . . 0.0 108.036 178.611 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -149.91 -3.25 0.27 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 107.531 -2.227 . . . . 0.0 107.531 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' ASP . 59.6 m -111.84 118.93 36.89 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.529 -0.983 . . . . 0.0 109.225 179.549 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' HB2' ' H ' ' A' ' 92' ' ' CYS . 0.5 OUTLIER -32.78 138.26 0.06 Allowed 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.404 0.621 . . . . 0.0 111.542 -179.272 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.88 -34.26 62.83 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.39 -0.819 . . . . 0.0 108.906 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.8 -10.2 58.24 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.422 -0.799 . . . . 0.0 109.075 179.788 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.2 165.73 11.91 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.211 -0.931 . . . . 0.0 109.5 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -91.87 169.84 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.351 -0.843 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 24.1 t -139.94 137.68 34.96 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.307 -0.871 . . . . 0.0 109.485 -179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -119.96 139.92 51.72 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.275 -0.891 . . . . 0.0 109.488 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.74 17.0 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.253 -0.905 . . . . 0.0 109.492 -179.855 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -54.11 133.61 44.03 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.373 -0.829 . . . . 0.0 109.483 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.24 149.77 12.16 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.259 -0.901 . . . . 0.0 109.383 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.48 -9.01 5.16 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.264 -0.897 . . . . 0.0 109.456 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.1 -68.64 0.03 OUTLIER Glycine 0 CA--C 1.529 0.947 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.94 -69.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.153 -1.204 . . . . 0.0 109.475 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -111.22 47.68 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.232 -0.918 . . . . 0.0 109.404 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -139.69 82.97 0.24 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.45 101.77 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.242 -1.152 . . . . 0.0 109.388 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 160.62 15.48 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.252 -0.905 . . . . 0.0 109.452 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.2 mm -141.98 113.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 O-C-N 121.245 -0.91 . . . . 0.0 109.482 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.9 162.2 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.276 -0.89 . . . . 0.0 109.396 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.8 m -126.25 141.32 51.96 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.211 -0.931 . . . . 0.0 109.366 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -144.4 114.05 7.18 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.273 -0.892 . . . . 0.0 109.644 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 113.64 24.99 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.189 -0.944 . . . . 0.0 109.177 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -84.64 22.52 1.3 Allowed 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.212 -0.93 . . . . 0.0 109.787 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.401 ' N ' ' CD ' ' A' ' 80' ' ' LYS . 7.6 mptt -82.94 171.06 12.57 Favored Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 121.227 -0.921 . . . . 0.0 109.395 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -86.33 125.85 2.62 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 124.979 3.786 . . . . 0.0 109.039 179.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t0 72.67 -50.82 0.7 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.22 157.58 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.493 -0.754 . . . . 0.0 110.237 179.1 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -149.88 95.42 3.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -89.53 116.31 0.69 Allowed 'Trans proline' 0 N--CA 1.475 0.412 1 C-N-CA 125.307 4.004 . . . . 0.0 110.379 -179.335 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 9.7 mt -81.82 0.5 39.09 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.415 ' CD1' HD23 ' A' ' 31' ' ' LEU . 64.2 m-85 -154.27 -102.76 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.27 25.47 9.82 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 121.624 -0.672 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.44 -4.45 31.21 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 119.514 -1.326 . . . . 0.0 110.331 179.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.412 HD13 ' CD2' ' A' ' 87' ' ' PHE . 11.5 pt -65.45 -26.32 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 120.942 -1.328 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.471 ' CD1' ' CE1' ' A' ' 19' ' ' PHE . 14.6 m-85 -130.31 72.8 1.5 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.278 -0.889 . . . . 0.0 110.232 -179.716 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . 0.422 ' H ' ' HB2' ' A' ' 57' ' ' ASP . 5.1 m -76.63 135.0 39.16 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 120.957 -1.089 . . . . 0.0 108.925 179.354 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 m -129.14 163.41 25.57 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.058 -1.026 . . . . 0.0 109.72 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -174.04 -98.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.387 -0.821 . . . . 0.0 109.398 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.16 94.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.264 -0.898 . . . . 0.0 109.498 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 51.1 t30 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.035 -0.984 . . . . 0.0 109.419 -179.991 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.56 -165.62 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 O-C-N 121.308 -0.87 . . . . 0.0 109.425 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.37 -9.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.171 -0.956 . . . . 0.0 109.493 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -64.94 -96.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.28 -0.888 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -101.52 67.74 1.15 Allowed 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.169 -0.957 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -68.66 -49.38 59.54 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.594 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t 66.26 118.01 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.303 -0.873 . . . . 0.0 109.446 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.72 -144.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 121.2 -0.937 . . . . 0.0 109.641 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.492 ' H ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -66.65 -70.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.302 -0.874 . . . . 0.0 109.579 -179.867 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.492 ' H ' ' HG2' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 66.78 126.01 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.376 -0.828 . . . . 0.0 109.544 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -117.39 78.17 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.211 -0.93 . . . . 0.0 109.437 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.39 173.98 5.11 Favored Pre-proline 0 CA--C 1.531 0.219 0 O-C-N 121.254 -0.904 . . . . 0.0 109.243 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -88.85 158.83 6.07 Favored 'Trans proline' 0 N--CA 1.478 0.565 1 C-N-CA 125.437 4.092 . . . . 0.0 110.403 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -54.55 173.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 121.29 -0.881 . . . . 0.0 109.439 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 34' ' ' TYR . 4.6 m120 60.88 14.7 5.41 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.206 -0.934 . . . . 0.0 109.144 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -157.12 134.8 10.77 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.347 -0.846 . . . . 0.0 109.491 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.16 171.1 13.59 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.74 154.53 17.73 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.249 -1.148 . . . . 0.0 109.807 -179.764 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 40.5 t80 -154.76 146.97 23.78 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.318 -0.864 . . . . 0.0 109.162 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.67 115.58 24.22 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.271 -0.893 . . . . 0.0 109.542 -179.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.9 144.82 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.304 -0.873 . . . . 0.0 109.407 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.442 HD11 ' H ' ' A' ' 22' ' ' LEU . 7.9 mp -68.31 -0.96 5.37 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.211 -0.931 . . . . 0.0 109.25 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.22 28.66 7.49 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.269 -0.894 . . . . 0.0 109.333 179.805 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.66 36.04 6.63 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.252 -0.905 . . . . 0.0 109.518 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.5 178.82 5.42 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.162 -0.961 . . . . 0.0 109.383 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -136.33 138.66 41.89 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.203 -0.936 . . . . 0.0 109.479 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -158.12 160.52 37.39 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.205 -0.934 . . . . 0.0 109.595 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.1 m -104.37 110.14 22.27 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.273 -0.892 . . . . 0.0 109.396 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 136.04 36.92 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.214 -0.929 . . . . 0.0 109.023 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -58.48 146.3 35.79 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.149 -0.969 . . . . 0.0 109.199 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.421 HD23 ' CE1' ' A' ' 87' ' ' PHE . 78.0 mt -61.52 -166.93 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.211 -0.931 . . . . 0.0 109.869 -179.545 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 mt -73.39 167.43 21.28 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.366 -0.834 . . . . 0.0 109.665 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.0 m120 57.29 17.73 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.405 -0.81 . . . . 0.0 109.387 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 21.4 m-85 -131.06 173.19 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.366 -0.834 . . . . 0.0 109.355 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.89 -175.11 5.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.858 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.04 134.21 55.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.485 -0.76 . . . . 0.0 109.478 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -141.92 81.05 1.74 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.359 -0.838 . . . . 0.0 109.356 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.45 -92.83 1.72 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -136.45 -4.13 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.333 -1.098 . . . . 0.0 109.434 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -124.63 131.82 53.45 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.232 -0.917 . . . . 0.0 109.198 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 76.3 m -71.02 145.17 50.14 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.125 -0.984 . . . . 0.0 109.461 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.3 m -124.48 172.4 12.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 O-C-N 121.32 -0.863 . . . . 0.0 109.564 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -63.44 148.84 47.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.256 -0.903 . . . . 0.0 109.712 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -123.51 67.1 37.05 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 121.218 -0.926 . . . . 0.0 109.552 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -34.09 -33.62 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.774 1 C-N-CA 125.982 4.454 . . . . 0.0 110.678 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -138.8 92.73 11.08 Favored Pre-proline 0 CA--C 1.533 0.317 0 O-C-N 121.225 -0.922 . . . . 0.0 109.527 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -88.79 172.78 4.48 Favored 'Trans proline' 0 N--CA 1.479 0.648 0 C-N-CA 125.185 3.924 . . . . 0.0 110.004 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.8 t -158.25 -171.44 3.49 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.115 -0.99 . . . . 0.0 109.784 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 99.6 m -111.17 -31.52 7.07 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.427 -0.796 . . . . 0.0 108.931 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.02 -13.93 13.87 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.338 -0.851 . . . . 0.0 109.15 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -77.83 59.12 2.01 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 42.07 58.18 3.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.005 0.431 . . . . 0.0 111.455 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.2 70.68 0.42 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.184 -0.947 . . . . 0.0 109.33 178.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -84.99 -48.02 5.05 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 179.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.4 -15.91 72.73 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.25 162.4 15.01 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.005 -1.291 . . . . 0.0 109.98 -179.739 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.18 -87.55 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.597 -0.69 . . . . 0.0 109.711 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -153.81 -9.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.411 -0.806 . . . . 0.0 109.031 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -138.86 -7.92 1.4 Allowed 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.342 -0.849 . . . . 0.0 109.403 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.7 171.44 9.08 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.187 -0.945 . . . . 0.0 109.705 -179.723 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -91.13 115.02 27.68 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.273 -0.892 . . . . 0.0 109.309 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 25.0 t -92.4 141.64 28.31 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.172 -0.955 . . . . 0.0 109.691 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.98 155.25 40.54 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.264 -0.897 . . . . 0.0 109.38 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.38 30.65 6.21 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.18 -0.95 . . . . 0.0 109.588 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.89 174.48 10.52 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.17 -0.956 . . . . 0.0 109.612 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.84 157.07 10.22 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.339 -0.851 . . . . 0.0 109.507 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.19 -97.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.267 -0.896 . . . . 0.0 109.403 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.45 ' HA2' ' HZ3' ' A' ' 73' ' ' LYS . . . 175.21 120.22 0.59 Allowed Glycine 0 CA--C 1.528 0.901 0 N-CA-C 109.629 -1.389 . . . . 0.0 109.629 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 p -169.01 -123.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.237 -1.155 . . . . 0.0 109.389 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -125.71 -92.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.222 -0.924 . . . . 0.0 109.462 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.05 -102.19 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.3 155.83 29.96 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.234 -1.157 . . . . 0.0 109.411 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HZ3' ' HA2' ' A' ' 68' ' ' GLY . 5.9 mmmt -94.04 106.06 18.04 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.226 -0.921 . . . . 0.0 109.487 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mm -120.75 115.36 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 O-C-N 121.222 -0.924 . . . . 0.0 109.221 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.3 173.21 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.278 -0.889 . . . . 0.0 109.642 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.19 148.32 27.45 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.344 -0.847 . . . . 0.0 110.077 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -136.86 86.89 2.24 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.386 -0.821 . . . . 0.0 108.84 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.5 m -60.37 117.23 4.98 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.308 -0.87 . . . . 0.0 109.935 -179.439 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 t -71.1 0.77 6.9 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.27 -0.893 . . . . 0.0 108.835 179.335 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -62.35 168.99 3.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.461 -0.774 . . . . 0.0 109.231 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -79.38 130.94 9.31 Favored 'Trans proline' 0 N--CA 1.478 0.609 0 C-N-CA 124.641 3.561 . . . . 0.0 109.506 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 72.68 -53.11 0.7 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.165 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t 51.92 92.43 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.522 -0.736 . . . . 0.0 109.823 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.404 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 4.6 m-85 -116.14 81.9 10.81 Favored Pre-proline 0 C--N 1.33 -0.25 0 O-C-N 121.233 -0.917 . . . . 0.0 109.881 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 19.7 Cg_exo -33.1 151.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.483 0.889 1 C-N-CA 125.63 4.22 . . . . 0.0 110.665 179.615 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.2 mt -120.05 -2.31 10.25 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.268 -0.895 . . . . 0.0 109.726 -179.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.421 ' CE1' HD23 ' A' ' 31' ' ' LEU . 78.1 m-85 -152.22 -14.53 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.024 -1.048 . . . . 0.0 109.965 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 166.98 -46.36 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.635 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 179.34 7.51 0.02 OUTLIER Glycine 0 CA--C 1.529 0.931 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.466 HG13 ' H ' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -81.58 -86.94 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 O-C-N 121.056 -1.261 . . . . 0.0 108.913 179.751 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 12.4 m-85 -66.59 113.91 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.315 -0.865 . . . . 0.0 109.297 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 6.4 m -107.57 64.28 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.247 -0.908 . . . . 0.0 109.452 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 p -116.72 -160.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.272 -0.892 . . . . 0.0 109.394 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.76 147.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.293 -0.879 . . . . 0.0 109.385 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.49 -69.4 0.72 Allowed 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.228 -0.92 . . . . 0.0 109.45 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 m120 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.431 -179.912 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 mm -103.62 75.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 121.238 -0.914 . . . . 0.0 109.468 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 t -104.77 51.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.247 -0.908 . . . . 0.0 109.396 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -108.3 17.35 22.28 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.303 -0.873 . . . . 0.0 109.487 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -179.49 -9.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.238 -0.913 . . . . 0.0 109.462 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.8 164.12 17.9 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.281 -0.887 . . . . 0.0 109.484 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.58 177.32 4.68 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.212 -0.93 . . . . 0.0 109.267 179.866 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.65 -12.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 O-C-N 121.259 -0.9 . . . . 0.0 109.508 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -144.54 48.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.386 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.493 ' CG ' ' H ' ' A' ' 11' ' ' GLN . 1.5 ttmm -139.17 -160.42 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.205 -0.934 . . . . 0.0 109.466 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.493 ' H ' ' CG ' ' A' ' 10' ' ' LYS . 4.0 mt-30 -162.91 49.66 0.16 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.245 -0.909 . . . . 0.0 109.603 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.2 t -54.83 131.81 66.33 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 121.217 -0.927 . . . . 0.0 108.59 179.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -83.55 -169.33 0.68 Allowed 'Trans proline' 0 N--CA 1.483 0.909 0 C-N-CA 124.319 3.346 . . . . 0.0 110.863 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -72.88 173.78 8.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 55.32 27.26 9.64 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.162 -0.961 . . . . 0.0 109.148 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.5 p -165.47 125.08 1.76 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.282 -0.886 . . . . 0.0 109.355 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.08 163.83 20.33 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.63 175.84 9.44 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.314 -1.109 . . . . 0.0 109.83 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.453 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 2.1 t80 -166.79 101.92 0.57 Allowed 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.478 -0.764 . . . . 0.0 109.165 -179.727 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.53 78.63 1.74 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 121.095 -1.003 . . . . 0.0 109.951 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.453 ' NE2' ' CZ ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -176.57 1.78 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.09 -1.006 . . . . 0.0 110.282 179.481 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.448 ' CD1' ' CE2' ' A' ' 19' ' ' PHE . 2.1 mp -109.92 -0.61 18.16 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.079 -1.013 . . . . 0.0 109.119 179.591 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' C ' ' H ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -154.68 8.23 0.31 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.504 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.62 1.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.659 -0.651 . . . . 0.0 109.623 -179.672 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' H ' ' C ' ' A' ' 23' ' ' ASP . 8.4 mtt180 -110.5 174.48 5.84 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.134 -0.979 . . . . 0.0 109.142 179.871 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 134.76 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.117 -0.989 . . . . 0.0 109.764 -179.828 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' CA ' ' HZ2' ' A' ' 10' ' ' LYS . 2.3 mt-10 -142.3 160.38 40.36 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.347 -0.846 . . . . 0.0 109.327 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.25 101.31 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.198 -0.938 . . . . 0.0 108.56 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 10.7 tttm -93.38 160.16 14.93 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 121.287 -0.883 . . . . 0.0 109.518 -179.126 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.463 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.0 m -80.07 156.97 26.84 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.121 -0.987 . . . . 0.0 109.775 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 mt -65.09 -164.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.247 -0.908 . . . . 0.0 109.222 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.15 162.94 27.57 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.131 -0.98 . . . . 0.0 109.526 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 59.11 16.94 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.279 -0.888 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -124.56 172.9 8.85 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.284 -0.885 . . . . 0.0 109.72 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -154.65 -173.32 4.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -108.37 138.2 45.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.486 -0.759 . . . . 0.0 109.762 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -159.36 102.11 1.56 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.259 -0.9 . . . . 0.0 109.312 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.83 -123.39 6.09 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -112.56 12.84 19.96 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.236 -1.156 . . . . 0.0 109.312 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.34 147.46 31.36 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.333 -0.855 . . . . 0.0 109.052 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.4 m -75.72 149.49 38.05 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.265 -0.897 . . . . 0.0 109.637 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.6 m -122.65 166.91 16.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 121.238 -0.914 . . . . 0.0 109.673 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -56.92 154.57 9.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.146 -0.971 . . . . 0.0 109.319 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.55 112.89 17.9 Favored Pre-proline 0 CA--C 1.535 0.369 0 O-C-N 121.164 -0.96 . . . . 0.0 109.717 -179.616 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -89.79 -15.89 2.05 Favored 'Trans proline' 0 N--CA 1.478 0.563 0 C-N-CA 124.892 3.728 . . . . 0.0 109.901 179.407 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -130.67 87.16 50.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.51 -0.744 . . . . 0.0 109.019 179.727 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -86.98 113.69 1.03 Allowed 'Trans proline' 0 N--CA 1.477 0.542 0 C-N-CA 125.273 3.982 . . . . 0.0 110.7 -179.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 t -119.05 -174.6 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.303 -0.873 . . . . 0.0 109.18 179.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' C ' ' H ' ' A' ' 51' ' ' GLU . 15.8 m -111.85 -25.74 9.29 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.231 -0.918 . . . . 0.0 108.953 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -69.51 -0.32 6.44 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.338 -0.851 . . . . 0.0 108.708 179.22 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' H ' ' C ' ' A' ' 49' ' ' CYS . 10.1 pt-20 -96.55 50.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.92 71.57 0.21 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.24 0.543 . . . . 0.0 110.396 -179.179 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 5.7 t30 60.21 85.2 0.11 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.552 0.691 . . . . 0.0 109.235 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.13 -42.32 84.47 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 107.762 -2.135 . . . . 0.0 107.762 178.342 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.13 -0.37 0.3 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 107.456 -2.258 . . . . 0.0 107.456 178.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASP . 75.2 m -111.15 111.52 22.65 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.632 -0.922 . . . . 0.0 109.314 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER -28.11 140.41 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.376 0.607 . . . . 0.0 112.018 -179.374 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.38 -34.58 64.45 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.339 -0.85 . . . . 0.0 108.996 -179.773 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 0.4 OUTLIER -82.05 -11.3 58.87 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.318 -0.864 . . . . 0.0 108.735 179.586 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.36 142.75 27.38 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.35 -0.844 . . . . 0.0 109.27 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.52 169.13 17.12 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.174 -0.954 . . . . 0.0 109.27 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.7 t -137.03 155.03 50.2 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.273 -0.892 . . . . 0.0 109.154 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.95 144.14 24.74 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.12 -0.988 . . . . 0.0 109.519 -179.757 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.47 -9.97 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.32 -0.863 . . . . 0.0 109.535 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.69 -178.08 5.74 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.294 -0.879 . . . . 0.0 109.734 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.4 t0 57.16 17.1 3.34 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.429 -0.794 . . . . 0.0 109.759 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 m -161.44 -127.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.253 -0.904 . . . . 0.0 109.432 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.456 ' H ' ' CB ' ' A' ' 73' ' ' LYS . . . -67.03 -139.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.469 ' H ' ' HB2' ' A' ' 72' ' ' LYS . 0.6 OUTLIER 179.23 153.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.239 -1.153 . . . . 0.0 109.774 179.92 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 54.66 40.02 31.62 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.368 -0.832 . . . . 0.0 109.83 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.09 -45.6 1.28 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.469 ' HB2' ' H ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -51.24 126.34 16.5 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.684 -0.892 . . . . 0.0 110.017 -179.637 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.456 ' CB ' ' H ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER 64.14 121.43 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.656 0.741 . . . . 0.0 110.003 179.714 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.41 HG21 HD11 ' A' ' 74' ' ' ILE . 12.0 mm -138.89 156.47 28.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 121.193 -0.942 . . . . 0.0 109.001 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.66 149.45 35.7 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.144 -0.972 . . . . 0.0 109.568 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.9 m -115.45 136.31 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.355 -0.841 . . . . 0.0 109.21 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.26 84.9 2.3 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.21 -0.931 . . . . 0.0 109.573 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.64 112.28 6.76 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.294 -0.879 . . . . 0.0 109.139 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.1 t -89.54 41.32 1.03 Allowed 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.229 -0.92 . . . . 0.0 110.01 -179.416 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 169.14 6.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 O-C-N 121.151 -0.968 . . . . 0.0 109.17 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -84.01 127.82 4.2 Favored 'Trans proline' 0 N--CA 1.477 0.509 0 C-N-CA 124.901 3.734 . . . . 0.0 109.535 179.611 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.72 -52.62 0.7 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -178.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.83 160.01 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.401 -0.812 . . . . 0.0 110.17 179.245 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -148.93 94.06 4.11 Favored Pre-proline 0 C--N 1.328 -0.329 0 O-C-N 121.396 -0.815 . . . . 0.0 109.073 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -91.34 119.95 0.6 Allowed 'Trans proline' 0 N--CA 1.475 0.426 1 C-N-CA 125.605 4.203 . . . . 0.0 110.237 -179.68 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.423 ' HB2' ' CD2' ' A' ' 87' ' ' PHE . 21.3 mt -92.04 -24.29 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.295 -0.878 . . . . 0.0 108.942 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.423 ' CD2' ' HB2' ' A' ' 86' ' ' LEU . 42.8 m-85 -147.12 73.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER 75.94 -32.92 0.21 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.953 -0.467 . . . . 0.0 110.298 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.48 31.57 0.07 OUTLIER Glycine 0 CA--C 1.533 1.181 0 C-N-CA 118.964 -1.588 . . . . 0.0 111.273 179.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.454 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -91.95 -12.85 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 120.735 -1.45 . . . . 0.0 108.776 179.121 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.454 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 29.0 m-85 -131.85 38.95 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.444 -0.785 . . . . 0.0 109.116 179.48 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.31 165.21 0.38 Allowed 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.341 -0.849 . . . . 0.0 109.782 -179.83 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -151.9 -161.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.316 -0.865 . . . . 0.0 109.241 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.1 p -134.14 -130.4 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.244 -0.91 . . . . 0.0 109.357 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 p -167.94 128.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.309 -0.869 . . . . 0.0 109.46 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.2 m120 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.417 -179.961 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.4 mm -88.17 101.49 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 O-C-N 121.275 -0.891 . . . . 0.0 109.463 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 t -162.78 -7.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.233 -0.917 . . . . 0.0 109.502 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -56.17 -70.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.303 -0.873 . . . . 0.0 109.565 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.444 ' CG ' ' N ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -55.21 -34.98 64.4 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.222 -0.924 . . . . 0.0 109.527 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 6.2 tt0 -55.5 169.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.285 -0.885 . . . . 0.0 109.549 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.39 178.38 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.268 -0.895 . . . . 0.0 109.312 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.0 t -105.03 -67.56 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 O-C-N 121.28 -0.887 . . . . 0.0 109.592 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.8 35.95 4.5 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.276 -0.89 . . . . 0.0 109.439 -179.886 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.517 ' HZ3' ' N ' ' A' ' 11' ' ' GLN . 2.8 ttpp -106.4 175.92 5.34 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.276 -0.89 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.517 ' N ' ' HZ3' ' A' ' 10' ' ' LYS . 3.5 pt20 -148.5 99.12 2.98 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.225 -0.922 . . . . 0.0 110.07 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.474 ' HB2' ' HZ2' ' A' ' 10' ' ' LYS . 19.5 t -96.16 135.71 22.49 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.363 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -82.18 -169.34 0.74 Allowed 'Trans proline' 0 N--CA 1.483 0.874 0 C-N-CA 124.322 3.348 . . . . 0.0 110.925 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -73.93 174.45 8.53 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 m120 55.26 22.18 4.59 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.091 -1.006 . . . . 0.0 109.045 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 38.7 p -160.38 130.22 5.2 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.34 -0.85 . . . . 0.0 109.446 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.81 161.12 17.75 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.6 t -96.58 141.3 30.01 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.449 -1.03 . . . . 0.0 109.512 -179.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -138.16 112.4 8.63 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.207 -0.933 . . . . 0.0 109.449 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -63.89 114.38 4.04 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.18 -0.95 . . . . 0.0 109.319 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.43 139.4 37.35 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.289 -0.882 . . . . 0.0 109.446 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.78 -9.53 9.72 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.248 -0.907 . . . . 0.0 109.343 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.86 38.5 1.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.278 -0.889 . . . . 0.0 109.241 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 57.23 31.85 20.75 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.225 -0.922 . . . . 0.0 109.594 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.79 178.4 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.2 -0.937 . . . . 0.0 109.379 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -134.61 128.53 33.35 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.233 -0.917 . . . . 0.0 109.475 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.45 162.97 29.81 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.257 -0.902 . . . . 0.0 109.768 179.857 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -132.01 108.15 9.15 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -102.02 160.81 14.18 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.266 -0.896 . . . . 0.0 109.434 -179.17 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.466 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.7 m -78.8 152.19 31.52 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 120.979 -1.075 . . . . 0.0 109.364 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.421 HD23 ' CZ ' ' A' ' 87' ' ' PHE . 75.8 mt -62.14 -164.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.305 -0.872 . . . . 0.0 109.854 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.89 164.35 26.65 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.237 -0.914 . . . . 0.0 109.405 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 m120 56.72 17.36 3.12 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.25 -0.906 . . . . 0.0 109.599 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -125.02 174.57 7.92 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.309 -0.869 . . . . 0.0 109.602 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -159.5 -174.24 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -112.6 134.42 54.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.449 -0.782 . . . . 0.0 109.601 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -154.87 72.96 0.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.146 -0.971 . . . . 0.0 109.407 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.35 -131.01 10.41 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -101.92 15.49 28.85 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.248 -1.148 . . . . 0.0 109.479 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -151.55 153.19 34.06 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.247 -0.908 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.6 m -84.68 148.22 26.52 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.173 -0.955 . . . . 0.0 109.293 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -120.83 172.9 7.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 O-C-N 121.116 -0.99 . . . . 0.0 109.702 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 146.92 53.8 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.272 -0.892 . . . . 0.0 109.511 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -124.12 67.68 44.94 Favored Pre-proline 0 C--N 1.331 -0.232 0 O-C-N 121.281 -0.887 . . . . 0.0 109.446 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -33.86 -34.12 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.769 1 C-N-CA 125.973 4.449 . . . . 0.0 110.619 179.66 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -133.59 86.11 40.65 Favored Pre-proline 0 CA--C 1.532 0.251 0 O-C-N 121.25 -0.906 . . . . 0.0 109.529 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -89.23 165.99 5.52 Favored 'Trans proline' 0 N--CA 1.478 0.609 1 C-N-CA 125.504 4.136 . . . . 0.0 110.197 179.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.425 ' CG2' ' CG ' ' A' ' 51' ' ' GLU . 9.4 t -159.9 -167.41 1.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.21 -0.931 . . . . 0.0 109.818 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.7 m -104.42 -20.5 13.7 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -62.5 -12.67 23.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.425 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 2.4 mt-10 -75.1 53.78 0.64 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.078 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 p30 42.07 59.1 2.7 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 109.947 -178.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.428 HD21 ' C ' ' A' ' 57' ' ' ASP . 6.6 t30 66.72 55.59 0.76 Allowed 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.467 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.47 -46.05 16.41 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.04 -16.3 75.06 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.1 m -111.43 161.69 15.85 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 120.981 -1.305 . . . . 0.0 110.422 -179.596 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.428 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.7 OUTLIER -64.13 -92.24 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.371 -0.83 . . . . 0.0 109.472 179.852 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.424 ' H ' ' CG ' ' A' ' 57' ' ' ASP . . . -151.69 -9.89 0.21 Allowed 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.261 -0.9 . . . . 0.0 109.422 179.846 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -132.71 -14.5 2.8 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.275 -0.89 . . . . 0.0 109.599 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.81 167.11 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.187 -0.946 . . . . 0.0 109.547 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -87.49 125.38 34.28 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.255 -0.903 . . . . 0.0 109.408 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.84 159.07 15.16 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.185 -0.947 . . . . 0.0 109.81 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.62 156.67 30.48 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.441 -0.787 . . . . 0.0 109.083 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -138.72 18.61 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.075 -1.016 . . . . 0.0 109.6 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -54.14 99.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.311 -0.868 . . . . 0.0 109.339 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -79.67 -170.63 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.305 -0.872 . . . . 0.0 109.583 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.43 -10.75 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.353 -0.842 . . . . 0.0 109.402 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.41 -155.53 16.1 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.29 -156.34 0.28 Allowed 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.227 -1.16 . . . . 0.0 109.524 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -113.47 50.51 0.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.278 -0.889 . . . . 0.0 109.39 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.77 97.03 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 162.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.313 -1.11 . . . . 0.0 109.417 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 150.55 48.53 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.23 -0.919 . . . . 0.0 109.427 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.2 mm -124.13 152.94 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.26 -0.9 . . . . 0.0 109.291 -179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 m -147.23 157.45 43.6 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.187 -0.946 . . . . 0.0 109.47 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -159.61 145.18 15.75 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.179 -0.95 . . . . 0.0 109.519 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -144.74 111.86 5.96 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.331 -0.856 . . . . 0.0 109.098 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.408 ' C ' ' H ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -82.38 75.93 9.27 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.245 -0.909 . . . . 0.0 109.149 -179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -75.67 44.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.271 -0.893 . . . . 0.0 109.526 -179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -113.4 175.5 1.83 Allowed Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 121.201 -0.937 . . . . 0.0 109.408 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 10.9 Cg_endo -87.51 139.85 5.09 Favored 'Trans proline' 0 N--CA 1.476 0.495 0 C-N-CA 125.292 3.995 . . . . 0.0 109.794 179.598 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t70 66.99 2.35 2.67 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.367 -0.833 . . . . 0.0 109.402 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.07 121.51 16.28 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 121.173 -0.954 . . . . 0.0 109.003 179.662 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -141.52 78.98 17.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 O-C-N 121.159 -0.963 . . . . 0.0 109.787 -179.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -31.94 150.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.484 0.918 1 C-N-CA 125.974 4.449 . . . . 0.0 110.88 179.69 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 5' ' ' HIS . 33.4 mt -115.97 -26.23 7.39 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.224 -0.922 . . . . 0.0 109.87 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.421 ' CZ ' HD23 ' A' ' 31' ' ' LEU . 91.2 m-85 -127.66 -14.13 5.22 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.078 -1.014 . . . . 0.0 109.68 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 166.88 -47.94 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.07 12.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.4 ' O ' ' CG ' ' A' ' 91' ' ' PHE . 2.4 pt -94.42 10.5 4.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 O-C-N 121.224 -1.162 . . . . 0.0 109.461 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 90' ' ' ILE . 70.9 m-85 -154.67 44.97 0.52 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.279 -0.888 . . . . 0.0 109.562 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.95 77.18 5.42 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.086 -1.009 . . . . 0.0 109.288 179.799 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.9 t -55.26 134.22 49.76 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.227 -0.921 . . . . 0.0 109.66 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.9 t -85.43 -164.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.331 -0.856 . . . . 0.0 109.41 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -8.2 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.278 -0.889 . . . . 0.0 109.457 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.44 -179.92 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.3 t30 . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.464 HD12 ' HZ3' ' A' ' 80' ' ' LYS . 0.4 OUTLIER -108.15 -26.14 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 121.27 -0.894 . . . . 0.0 109.43 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 m 55.06 -106.76 0.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.284 -0.885 . . . . 0.0 109.377 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.4 ' C ' ' H ' ' A' ' 6' ' ' GLN . 7.4 pt20 -178.73 135.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.244 -0.91 . . . . 0.0 109.48 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -76.45 44.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.222 -0.924 . . . . 0.0 109.384 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 4' ' ' GLN . 0.5 OUTLIER -83.33 139.55 32.97 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.187 -0.946 . . . . 0.0 109.496 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.73 132.31 51.12 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.293 -0.88 . . . . 0.0 109.474 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -87.43 98.47 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 121.298 -0.876 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.68 13.22 5.14 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.229 -0.919 . . . . 0.0 109.39 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.477 ' HZ3' ' CZ ' ' A' ' 20' ' ' ARG . 0.8 OUTLIER -100.54 123.89 45.36 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.29 -0.881 . . . . 0.0 109.389 179.885 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -117.42 119.32 34.72 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 169.09 17.88 Favored Pre-proline 0 CA--C 1.532 0.268 0 O-C-N 121.256 -0.903 . . . . 0.0 109.205 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -90.41 163.48 4.47 Favored 'Trans proline' 0 N--CA 1.479 0.634 1 C-N-CA 125.388 4.059 . . . . 0.0 110.575 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -56.02 175.94 0.09 Allowed 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.301 -0.875 . . . . 0.0 109.275 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 55.22 28.95 11.9 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 121.25 -0.906 . . . . 0.0 108.851 -179.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -162.27 155.57 20.48 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.366 -0.834 . . . . 0.0 109.465 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.06 153.71 19.93 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.58 140.93 50.01 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.234 -1.156 . . . . 0.0 109.574 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.476 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 1.8 t80 -146.64 48.85 1.16 Allowed 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.252 -0.905 . . . . 0.0 109.569 -179.738 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.537 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 10.2 ttm180 -90.77 92.21 8.7 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.494 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.476 ' NE2' ' CZ ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -160.07 -164.11 1.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 120.808 -1.182 . . . . 0.0 109.691 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.429 ' HG ' ' CG ' ' A' ' 21' ' ' HIS . 1.7 mt 72.64 -52.75 0.7 Allowed 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -178.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.34 18.53 12.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.61 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 68.24 -0.45 2.16 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.497 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.91 104.35 2.29 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.114 -0.991 . . . . 0.0 109.113 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -128.75 -103.68 0.31 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.97 -1.081 . . . . 0.0 109.367 179.305 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 175.57 177.61 0.19 Allowed 'General case' 0 N--CA 1.465 0.285 0 O-C-N 120.78 -1.2 . . . . 0.0 110.083 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 m -96.7 132.27 42.54 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.342 -0.849 . . . . 0.0 109.478 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.33 139.03 45.94 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.515 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -54.17 152.05 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.225 -0.922 . . . . 0.0 109.693 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.7 mt -60.2 -164.86 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.264 -0.898 . . . . 0.0 109.914 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.63 163.51 27.25 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.243 -0.911 . . . . 0.0 109.702 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.7 m120 56.87 17.79 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.416 -0.802 . . . . 0.0 109.593 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.77 177.11 5.61 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.243 -0.911 . . . . 0.0 109.324 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -160.95 -175.4 4.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.4 142.09 45.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.359 -0.838 . . . . 0.0 109.682 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -153.4 64.82 0.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.326 -0.859 . . . . 0.0 109.355 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.4 -103.62 1.99 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -125.91 2.19 7.34 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.238 -1.154 . . . . 0.0 109.331 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.49 140.31 48.31 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.331 -0.856 . . . . 0.0 108.988 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.3 m -78.26 144.22 36.37 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.065 -1.022 . . . . 0.0 109.395 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.7 m -121.58 175.57 4.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 O-C-N 121.196 -0.94 . . . . 0.0 109.79 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.85 137.46 57.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.291 -0.881 . . . . 0.0 109.655 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -106.6 115.28 60.89 Favored Pre-proline 0 CA--C 1.536 0.429 0 O-C-N 121.329 -0.857 . . . . 0.0 109.485 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -89.33 -15.52 2.34 Favored 'Trans proline' 0 N--CA 1.479 0.63 0 C-N-CA 124.739 3.626 . . . . 0.0 110.168 179.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.28 84.53 35.34 Favored Pre-proline 0 C--N 1.331 -0.225 0 O-C-N 121.344 -0.847 . . . . 0.0 109.234 179.869 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -90.83 132.39 1.61 Allowed 'Trans proline' 0 N--CA 1.476 0.492 1 C-N-CA 125.661 4.241 . . . . 0.0 110.664 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.403 ' CG2' ' HG2' ' A' ' 51' ' ' GLU . 14.2 t -141.25 -158.94 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.336 -0.852 . . . . 0.0 109.256 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.415 ' C ' ' H ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -122.86 -26.36 4.45 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.61 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -70.84 2.5 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.265 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 49' ' ' CYS . 10.5 pt-20 -100.35 48.14 0.92 Allowed 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.428 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p30 43.08 73.57 0.14 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.421 0.629 . . . . 0.0 109.72 -178.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.438 HD21 ' C ' ' A' ' 56' ' ' CYS . 0.3 OUTLIER 63.5 90.28 0.08 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 122.653 1.216 . . . . 0.0 108.587 -179.379 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.54 37.78 3.47 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 107.709 -2.157 . . . . 0.0 107.709 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.26 -14.87 6.17 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.765 -2.134 . . . . 0.0 107.765 -178.585 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.438 ' C ' HD21 ' A' ' 53' ' ' ASN . 56.9 m -112.08 132.41 54.85 Favored 'General case' 0 N--CA 1.461 0.112 0 O-C-N 121.365 -1.079 . . . . 0.0 108.585 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.71 135.99 3.64 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.298 0.571 . . . . 0.0 110.298 -179.08 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.5 -34.08 56.76 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.458 -0.776 . . . . 0.0 109.741 -179.496 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.5 5.89 50.05 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.219 -0.926 . . . . 0.0 109.541 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -102.0 172.32 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.142 -0.974 . . . . 0.0 109.933 -179.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HZ1' HG21 ' A' ' 63' ' ' THR . 0.0 OUTLIER -94.79 136.88 34.57 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.455 -0.778 . . . . 0.0 108.913 179.52 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.6 t -112.7 136.97 51.67 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.286 -0.884 . . . . 0.0 109.473 -179.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.464 HG21 ' HZ1' ' A' ' 61' ' ' LYS . 1.3 p -123.78 140.18 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.215 -0.928 . . . . 0.0 109.447 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.93 -19.05 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.322 -0.861 . . . . 0.0 109.398 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -74.47 75.15 1.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.281 -0.887 . . . . 0.0 109.509 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -122.39 -87.42 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.27 -0.894 . . . . 0.0 109.435 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -102.91 -96.43 0.3 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.187 -0.946 . . . . 0.0 109.393 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.31 88.47 1.91 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.44 -58.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.228 -1.16 . . . . 0.0 109.46 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.39 46.7 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.201 -0.937 . . . . 0.0 109.44 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.8 108.9 0.8 Allowed Glycine 0 CA--C 1.529 0.95 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -62.87 130.03 43.05 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.277 -1.131 . . . . 0.0 109.447 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 124.55 49.72 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.232 -0.918 . . . . 0.0 109.431 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mm -117.33 106.8 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.265 -0.897 . . . . 0.0 109.353 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.03 157.07 17.98 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.209 -0.932 . . . . 0.0 109.542 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.0 m -136.98 152.31 50.0 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.254 -0.904 . . . . 0.0 109.364 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -165.96 109.92 0.81 Allowed 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.251 -0.906 . . . . 0.0 109.37 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' A' ' 80' ' ' LYS . 31.9 m -61.14 117.06 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.191 -0.943 . . . . 0.0 109.58 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.4 t -78.2 43.95 0.47 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.244 -0.91 . . . . 0.0 109.116 179.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.464 ' HZ3' HD12 ' A' ' 2' ' ' ILE . 1.9 mtmp? -122.28 169.7 9.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 O-C-N 121.359 -0.838 . . . . 0.0 109.319 -179.748 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -82.13 -35.04 0.39 Allowed 'Trans proline' 0 N--CA 1.479 0.642 0 C-N-CA 124.989 3.793 . . . . 0.0 109.598 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -90.78 19.56 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.5 p -55.07 98.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.623 -0.673 . . . . 0.0 109.612 -179.725 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -127.04 71.53 75.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 O-C-N 121.314 -0.866 . . . . 0.0 109.178 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -30.05 148.18 0.02 OUTLIER 'Trans proline' 0 N--CA 1.482 0.816 1 C-N-CA 126.206 4.604 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.1 mt -102.47 -30.39 11.03 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.257 -0.902 . . . . 0.0 109.66 -179.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -130.85 -18.75 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.098 -1.001 . . . . 0.0 109.709 -179.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 169.07 -40.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.754 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.97 23.59 0.02 OUTLIER Glycine 0 CA--C 1.528 0.902 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.446 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 24.8 pt -96.4 -33.22 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 O-C-N 121.151 -1.205 . . . . 0.0 109.108 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.446 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 21.4 m-85 -136.51 120.28 17.35 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.39 -0.819 . . . . 0.0 109.383 179.755 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -164.84 0.89 Allowed 'General case' 0 N--CA 1.464 0.249 0 O-C-N 120.991 -1.068 . . . . 0.0 109.376 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.86 177.84 10.57 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.381 -0.825 . . . . 0.0 109.436 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.1 -46.04 3.12 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.211 -0.93 . . . . 0.0 109.396 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.6 t -175.27 -44.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.216 -0.928 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.413 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 mm -79.41 94.21 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 121.195 -0.94 . . . . 0.0 109.488 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -77.81 104.73 8.54 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.298 -0.877 . . . . 0.0 109.435 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.413 ' HB3' ' CD2' ' A' ' 5' ' ' HIS . 7.1 tt0 -175.05 -53.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.271 -0.893 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.413 ' CD2' ' HB3' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -114.12 3.7 15.33 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.224 -0.923 . . . . 0.0 109.348 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -92.05 4.0 54.05 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.296 -0.877 . . . . 0.0 109.363 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.3 m 55.92 -173.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.242 -0.911 . . . . 0.0 109.556 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG11 ' H ' ' A' ' 9' ' ' LYS . 13.4 p -153.85 -38.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 O-C-N 121.317 -0.864 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' H ' HG11 ' A' ' 8' ' ' VAL . 2.1 ttpm? -101.57 -31.87 10.64 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.293 -0.879 . . . . 0.0 109.392 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HZ2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -55.39 166.32 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.335 -0.853 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -155.03 56.53 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.295 -0.878 . . . . 0.0 109.564 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 m -54.8 170.92 0.32 Allowed Pre-proline 0 CA--C 1.533 0.297 0 O-C-N 121.261 -0.9 . . . . 0.0 109.338 179.826 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -88.71 161.39 6.33 Favored 'Trans proline' 0 N--CA 1.479 0.62 1 C-N-CA 125.334 4.023 . . . . 0.0 110.335 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -54.64 174.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.281 -0.887 . . . . 0.0 109.526 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.421 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 20.1 m-20 55.82 25.96 9.05 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.2 -0.937 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 t -163.56 120.9 1.82 Allowed 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.254 -0.903 . . . . 0.0 109.714 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.421 ' HA3' ' CZ ' ' A' ' 91' ' ' PHE . . . -94.5 170.49 29.8 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.93 159.4 16.06 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.237 -1.155 . . . . 0.0 109.703 -179.789 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.445 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER -139.42 116.27 10.87 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.212 -0.93 . . . . 0.0 108.78 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.96 81.59 1.69 Allowed 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.107 -0.996 . . . . 0.0 109.795 -179.622 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.456 ' CD2' ' N ' ' A' ' 21' ' ' HIS . 1.2 p80 -179.68 -48.81 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.182 -0.949 . . . . 0.0 110.274 179.496 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.424 HD13 ' CE1' ' A' ' 21' ' ' HIS . 12.7 mt -76.79 1.61 16.82 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.073 -1.017 . . . . 0.0 109.906 -179.432 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.52 6.24 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.29 -0.881 . . . . 0.0 108.904 179.785 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 54.1 20.08 2.37 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.46 -0.775 . . . . 0.0 109.481 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -133.57 146.15 50.73 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.288 -0.883 . . . . 0.0 109.295 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.496 ' CB ' ' HZ2' ' A' ' 10' ' ' LYS . 7.3 mt-10 -92.34 125.32 36.95 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.286 -0.884 . . . . 0.0 109.423 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -136.97 162.84 32.19 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.304 -0.872 . . . . 0.0 109.529 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.8 m -119.27 97.79 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.324 -0.86 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.36 133.72 42.37 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.249 -0.907 . . . . 0.0 108.991 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.1 158.74 10.66 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.107 -0.995 . . . . 0.0 109.364 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.418 HD12 ' CE1' ' A' ' 87' ' ' PHE . 92.2 mt -79.86 -168.41 1.6 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.205 -0.935 . . . . 0.0 109.593 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.0 mt -68.44 157.69 35.3 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.289 -0.882 . . . . 0.0 109.398 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 59.4 15.37 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.26 -0.9 . . . . 0.0 109.47 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 19.3 m-85 -132.0 118.59 19.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.382 -0.824 . . . . 0.0 109.491 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -97.42 -173.69 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -120.49 121.72 39.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.502 -0.749 . . . . 0.0 109.61 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.79 97.56 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.334 -0.854 . . . . 0.0 109.297 179.72 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.37 -98.1 1.62 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -134.13 8.4 3.74 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.227 -1.16 . . . . 0.0 109.267 179.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.37 122.05 25.69 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.31 -0.869 . . . . 0.0 109.338 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.88 143.09 52.9 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.123 -0.986 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.9 m -123.81 178.37 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 O-C-N 121.124 -0.985 . . . . 0.0 109.494 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.09 134.1 42.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.234 -0.916 . . . . 0.0 109.38 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.447 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.7 t-20 -109.43 128.39 25.49 Favored Pre-proline 0 CA--C 1.536 0.418 0 O-C-N 121.331 -0.856 . . . . 0.0 109.362 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.5 Cg_endo -90.73 -15.99 1.63 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.662 3.575 . . . . 0.0 110.041 179.662 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -148.99 85.88 5.84 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 121.32 -0.862 . . . . 0.0 109.453 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -89.76 160.05 5.14 Favored 'Trans proline' 0 N--CA 1.477 0.539 1 C-N-CA 125.487 4.125 . . . . 0.0 110.102 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.439 ' HG1' ' H ' ' A' ' 49' ' ' CYS . 9.6 t -152.21 -168.25 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.13 -0.981 . . . . 0.0 109.825 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.439 ' H ' ' HG1' ' A' ' 48' ' ' THR . 17.7 m -104.2 -20.63 13.74 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.284 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -62.0 -13.1 22.56 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.425 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 2.0 mt-10 -75.13 52.07 0.56 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.18 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 p30 42.03 59.91 2.43 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.299 0.571 . . . . 0.0 109.909 -178.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.436 HD21 ' C ' ' A' ' 57' ' ' ASP . 6.6 t30 67.0 55.89 0.69 Allowed 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -179.48 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.11 -49.7 15.27 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.9 -13.07 78.59 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.17 151.57 28.05 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.051 -1.264 . . . . 0.0 110.563 -179.507 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.2 OUTLIER -57.62 -94.3 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 O-C-N 121.374 -0.829 . . . . 0.0 109.722 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.81 -27.29 0.49 Allowed 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.08 -13.83 10.56 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.174 -0.954 . . . . 0.0 109.607 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.79 139.19 53.2 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.165 -0.96 . . . . 0.0 109.38 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -69.51 132.25 45.99 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.132 -0.98 . . . . 0.0 109.6 -179.821 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.16 161.02 14.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.494 -0.754 . . . . 0.0 109.327 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.78 173.85 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.269 -0.894 . . . . 0.0 109.402 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -145.52 42.93 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.239 -0.913 . . . . 0.0 109.324 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -80.55 141.31 35.22 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.29 -0.881 . . . . 0.0 109.506 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -55.66 154.54 6.65 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.206 -0.934 . . . . 0.0 109.409 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.45 -26.16 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.239 -0.913 . . . . 0.0 109.411 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.81 82.51 1.51 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.8 m -137.17 -80.46 0.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.279 -1.13 . . . . 0.0 109.447 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -155.23 -81.35 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.269 -0.895 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.86 -111.87 2.85 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.65 177.37 4.78 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.171 -1.194 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -147.79 155.1 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.292 -0.88 . . . . 0.0 109.558 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -140.9 149.51 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 O-C-N 121.314 -0.867 . . . . 0.0 109.164 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.38 154.05 49.01 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.181 -0.949 . . . . 0.0 109.624 -179.774 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -160.61 134.53 7.04 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.234 -0.916 . . . . 0.0 109.547 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -144.88 138.98 27.35 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.313 -0.867 . . . . 0.0 109.125 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.02 126.34 35.38 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.183 -0.948 . . . . 0.0 109.246 -179.821 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 t -82.67 17.18 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.287 -0.883 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -89.23 169.05 13.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 O-C-N 121.299 -0.876 . . . . 0.0 109.28 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.405 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 10.1 Cg_endo -84.95 127.86 3.62 Favored 'Trans proline' 0 N--CA 1.477 0.55 0 C-N-CA 124.868 3.712 . . . . 0.0 109.275 179.323 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER 72.81 -52.71 0.71 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.881 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.3 OUTLIER 61.08 158.87 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.468 -0.77 . . . . 0.0 110.092 179.264 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 83' ' ' SER . 54.7 m-85 -151.31 99.44 3.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 O-C-N 121.389 -0.819 . . . . 0.0 108.841 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -87.29 163.94 8.34 Favored 'Trans proline' 0 N--CA 1.478 0.594 0 C-N-CA 125.189 3.926 . . . . 0.0 110.464 -179.455 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.6 mt -125.66 -13.09 6.54 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.292 -0.88 . . . . 0.0 109.599 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.418 ' CE1' HD12 ' A' ' 31' ' ' LEU . 98.8 m-85 -146.45 -13.67 0.45 Allowed 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.135 -0.978 . . . . 0.0 109.802 -179.707 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 166.64 -50.43 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 178.43 5.97 0.02 OUTLIER Glycine 0 CA--C 1.529 0.939 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.88 2.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 O-C-N 121.348 -1.089 . . . . 0.0 109.32 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.421 ' CZ ' ' HA3' ' A' ' 17' ' ' GLY . 37.1 m-85 -141.76 49.12 1.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.161 -0.962 . . . . 0.0 109.456 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.42 -171.05 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.133 -0.98 . . . . 0.0 109.92 -179.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.41 ' HB2' ' CD2' ' A' ' 5' ' ' HIS . 0.0 OUTLIER 175.1 162.56 0.24 Allowed 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.328 -0.857 . . . . 0.0 109.164 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.14 156.95 17.61 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.159 -0.963 . . . . 0.0 109.605 -179.833 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.16 165.8 10.85 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.304 -0.873 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 54.1 t30 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.959 -1.02 . . . . 0.0 109.497 179.98 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 CA--C 1.53 0.185 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.9 mm -67.11 96.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 O-C-N 121.184 -0.948 . . . . 0.0 109.464 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.52 10.54 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.22 -0.925 . . . . 0.0 109.37 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -65.4 -79.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.224 -0.923 . . . . 0.0 109.448 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.461 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -158.45 -2.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.207 -0.933 . . . . 0.0 109.519 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -55.22 -72.05 0.07 Allowed 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.232 -0.918 . . . . 0.0 109.158 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 p 175.4 -102.77 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.04 -1.038 . . . . 0.0 109.199 179.59 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.7 t -145.25 -77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 O-C-N 121.045 -1.034 . . . . 0.0 109.442 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -155.97 -3.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -63.57 129.62 40.95 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.194 -0.941 . . . . 0.0 109.289 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -97.9 116.51 30.26 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.268 -0.895 . . . . 0.0 109.583 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -95.87 174.69 3.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.25 -0.906 . . . . 0.0 109.272 179.785 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -89.44 163.62 5.44 Favored 'Trans proline' 0 N--CA 1.477 0.5 1 C-N-CA 125.53 4.153 . . . . 0.0 110.336 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -54.78 174.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.305 -0.872 . . . . 0.0 109.422 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 m120 58.63 16.7 4.5 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.206 -0.934 . . . . 0.0 109.304 -179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.9 t -168.3 121.8 0.88 Allowed 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.126 -0.984 . . . . 0.0 110.136 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.17 -148.97 16.76 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.267 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -142.2 143.52 32.97 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.004 -1.292 . . . . 0.0 109.827 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.461 ' CZ ' ' CD2' ' A' ' 5' ' ' HIS . 24.5 t80 -148.67 168.61 22.4 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 121.061 -1.024 . . . . 0.0 109.758 179.061 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.515 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 8.0 mtp180 -114.93 121.18 42.39 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 178.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.494 ' H ' ' HB2' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -77.03 39.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 120.535 -1.353 . . . . 0.0 109.375 -179.637 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' A' ' 20' ' ' ARG . 2.2 mt 66.81 2.65 2.7 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.833 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 21' ' ' HIS . 13.6 p-10 -96.4 35.5 1.47 Allowed 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.736 -0.602 . . . . 0.0 109.617 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 71.09 -38.4 0.42 Allowed 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.5 -0.75 . . . . 0.0 110.782 179.553 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . 2.8 mtt180 -162.97 113.11 1.4 Allowed 'General case' 0 C--N 1.333 -0.143 0 O-C-N 120.786 -1.196 . . . . 0.0 110.607 -179.693 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' HB2' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -91.97 -89.55 0.18 Allowed 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.048 -1.033 . . . . 0.0 109.852 179.312 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' GLU . 1.6 mt-10 166.35 -174.02 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 -179.681 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.3 m -77.41 113.58 15.35 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.431 -0.793 . . . . 0.0 109.211 179.609 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -105.35 140.75 38.01 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.217 -0.927 . . . . 0.0 108.988 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.78 161.04 8.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.076 -1.015 . . . . 0.0 109.555 -179.755 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.402 ' CD2' ' CD1' ' A' ' 90' ' ' ILE . 20.5 mt -78.7 -166.05 0.82 Allowed 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.196 -0.94 . . . . 0.0 109.653 -179.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.6 156.65 39.16 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.258 -0.901 . . . . 0.0 109.678 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 57.73 16.43 3.5 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.362 -0.836 . . . . 0.0 109.5 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -129.52 117.79 21.04 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.405 -0.809 . . . . 0.0 109.135 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -97.88 -175.1 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.257 -0.902 . . . . 0.0 109.339 179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -127.47 132.63 49.98 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.553 -0.717 . . . . 0.0 109.445 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -139.28 74.01 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.281 -0.887 . . . . 0.0 109.389 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.58 -99.38 1.29 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -133.48 6.83 3.82 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.276 -1.132 . . . . 0.0 109.344 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -134.19 127.15 31.38 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.371 -0.83 . . . . 0.0 109.35 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.3 m -79.07 144.13 34.9 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.2 -0.937 . . . . 0.0 109.392 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.5 m -121.43 179.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.203 -0.936 . . . . 0.0 109.426 179.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.51 122.98 22.22 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.232 -0.918 . . . . 0.0 109.689 -179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.411 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 14.4 t-20 -100.54 115.73 65.07 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 121.347 -0.846 . . . . 0.0 109.138 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 12.1 Cg_endo -89.08 -14.74 2.66 Favored 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 124.791 3.661 . . . . 0.0 110.36 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -131.11 89.15 42.89 Favored Pre-proline 0 CA--C 1.532 0.278 0 O-C-N 121.189 -0.944 . . . . 0.0 109.697 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -90.71 161.38 4.2 Favored 'Trans proline' 0 N--CA 1.478 0.568 1 C-N-CA 125.488 4.126 . . . . 0.0 109.792 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.412 ' CG2' ' CG ' ' A' ' 51' ' ' GLU . 14.4 t -140.93 -154.6 0.53 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.013 -1.055 . . . . 0.0 110.272 -179.498 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.4 m -152.92 -44.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.598 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -62.91 -8.47 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.408 -0.808 . . . . 0.0 109.437 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 42.3 mm-40 -83.55 56.57 3.66 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.143 -0.973 . . . . 0.0 108.722 179.49 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.3 p30 41.33 62.57 1.46 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.036 0.446 . . . . 0.0 110.512 -179.428 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.88 86.44 0.13 Allowed 'General case' 0 N--CA 1.464 0.232 0 O-C-N 121.557 -0.714 . . . . 0.0 109.8 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.44 -22.81 32.48 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 108.451 -1.86 . . . . 0.0 108.451 178.537 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 160.66 11.0 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 107.546 -2.222 . . . . 0.0 107.546 -179.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.533 ' O ' ' O ' ' A' ' 57' ' ' ASP . 9.0 m -98.02 66.03 1.81 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 118.84 -1.144 . . . . 0.0 110.253 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.533 ' O ' ' O ' ' A' ' 56' ' ' CYS . 2.0 t0 39.12 119.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 122.335 1.064 . . . . 0.0 112.844 179.591 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.63 -17.69 0.56 Allowed 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.821 -1.175 . . . . 0.0 110.308 178.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -104.71 -17.69 14.55 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 120.983 -1.073 . . . . 0.0 109.632 179.536 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.47 ' H ' ' HB3' ' A' ' 57' ' ' ASP . . . -83.61 141.65 31.39 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 121.125 -0.985 . . . . 0.0 109.378 179.787 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -72.04 126.39 29.66 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.241 -0.912 . . . . 0.0 109.412 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -86.55 140.7 29.64 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.195 -0.941 . . . . 0.0 109.375 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.1 142.21 40.21 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.222 -0.923 . . . . 0.0 109.634 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.22 13.17 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.274 -0.891 . . . . 0.0 109.496 -179.893 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -53.74 154.4 3.85 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.359 -0.838 . . . . 0.0 109.619 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.46 153.7 5.36 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.307 -0.87 . . . . 0.0 109.568 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.2 p -161.73 -18.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.209 -0.932 . . . . 0.0 109.369 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 156.55 -169.41 33.91 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.02 -177.19 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.143 -1.21 . . . . 0.0 109.454 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.48 -37.9 5.1 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.289 -0.882 . . . . 0.0 109.444 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.56 -105.3 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.86 138.91 28.96 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.31 -1.112 . . . . 0.0 109.372 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.72 138.08 40.85 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.207 -0.933 . . . . 0.0 109.509 -179.898 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 mm -122.77 141.62 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 121.239 -0.913 . . . . 0.0 109.403 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 m -148.58 150.17 32.85 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.165 -0.959 . . . . 0.0 109.631 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.8 m -107.47 158.53 17.13 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.306 -0.872 . . . . 0.0 109.239 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -150.03 94.4 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.226 -0.921 . . . . 0.0 109.451 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.8 m -66.78 112.21 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.262 -0.898 . . . . 0.0 109.507 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.4 t -80.45 44.2 0.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.263 -0.898 . . . . 0.0 109.509 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -126.15 168.24 14.71 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.256 -0.903 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -85.01 -42.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.479 0.63 0 C-N-CA 125.063 3.842 . . . . 0.0 109.902 179.841 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.02 18.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.341 -0.85 . . . . 0.0 108.941 179.535 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.0 p -62.01 109.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.353 -0.842 . . . . 0.0 109.663 -179.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -135.07 70.49 69.72 Favored Pre-proline 0 C--N 1.327 -0.384 0 O-C-N 121.375 -0.828 . . . . 0.0 109.213 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -30.84 112.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.481 0.771 1 C-N-CA 126.199 4.599 . . . . 0.0 111.093 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.11 -19.98 59.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.252 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -133.13 -107.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.536 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.48 29.77 7.78 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.584 -0.697 . . . . 0.0 109.963 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.65 -16.24 40.69 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 119.616 -1.278 . . . . 0.0 110.343 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.44 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 14.6 pt -55.0 -34.66 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 121.127 -1.22 . . . . 0.0 109.374 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.44 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 20.2 m-85 -135.74 125.36 25.28 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.317 -0.864 . . . . 0.0 109.502 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -109.86 137.43 47.67 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.323 -0.86 . . . . 0.0 109.363 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.86 54.16 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.204 -0.935 . . . . 0.0 109.687 -179.841 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.77 148.56 28.85 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.196 -0.94 . . . . 0.0 109.321 179.867 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.32 -61.69 1.71 Allowed 'General case' 0 CA--C 1.53 0.212 0 O-C-N 121.187 -0.945 . . . . 0.0 109.508 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.451 179.992 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 mm 57.81 45.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 O-C-N 121.249 -0.907 . . . . 0.0 109.427 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -130.04 50.79 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.302 -0.874 . . . . 0.0 109.534 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -150.23 -45.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.261 -0.899 . . . . 0.0 109.377 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -19.88 14.43 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.271 -0.893 . . . . 0.0 109.269 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -11.87 17.32 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.31 -0.869 . . . . 0.0 109.284 179.813 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.71 151.14 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.451 -0.781 . . . . 0.0 109.517 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.505 ' CG1' ' H ' ' A' ' 9' ' ' LYS . 2.0 t -60.87 -159.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 121.29 -0.881 . . . . 0.0 110.518 -178.78 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' H ' ' CG1' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -80.33 60.9 3.93 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.169 -0.957 . . . . 0.0 109.347 -179.818 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' HZ2' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -66.54 -144.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.418 -0.801 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.72 101.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.142 -0.974 . . . . 0.0 109.658 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.2 m -117.35 170.82 5.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 121.255 -0.903 . . . . 0.0 109.079 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -88.9 165.28 5.95 Favored 'Trans proline' 0 N--CA 1.478 0.59 1 C-N-CA 125.433 4.089 . . . . 0.0 110.466 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -54.71 168.99 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.241 -0.912 . . . . 0.0 109.439 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.5 m120 55.15 34.79 23.38 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.289 -0.882 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -167.15 120.21 0.96 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.268 -0.895 . . . . 0.0 109.669 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.6 173.51 26.02 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.56 161.33 24.83 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.357 -1.084 . . . . 0.0 109.712 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 10.0 t80 -170.22 107.28 0.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.267 -0.896 . . . . 0.0 109.333 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 20.5 ttp85 -105.93 81.03 1.6 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.198 -0.939 . . . . 0.0 109.559 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.413 ' CE1' ' HB3' ' A' ' 94' ' ' SER . 88.8 m-70 -154.31 -177.16 6.26 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.201 -0.937 . . . . 0.0 110.138 -179.885 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.1 mt 71.5 -47.18 0.66 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.066 0.46 . . . . 0.0 110.158 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.45 14.88 13.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.285 -0.885 . . . . 0.0 108.645 179.703 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 55.23 19.66 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.476 -0.765 . . . . 0.0 109.222 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.45 HH11 ' HB3' ' A' ' 25' ' ' ARG . 0.1 OUTLIER -128.7 160.31 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.332 -0.855 . . . . 0.0 108.972 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.505 ' CB ' ' HZ2' ' A' ' 10' ' ' LYS . 43.0 mt-10 -75.04 143.68 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.205 -0.934 . . . . 0.0 109.815 -179.654 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -152.91 162.25 41.53 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.298 -0.876 . . . . 0.0 109.117 179.769 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.8 m -112.2 112.56 24.25 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.15 -0.969 . . . . 0.0 109.479 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -104.24 139.59 39.04 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 m -57.99 165.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 120.91 -1.119 . . . . 0.0 109.72 -179.399 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.1 mt -76.92 -165.27 0.53 Allowed 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.282 -0.886 . . . . 0.0 109.921 -179.441 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.17 154.94 41.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.313 -0.867 . . . . 0.0 109.629 -179.802 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 56.05 18.78 3.32 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.226 -0.921 . . . . 0.0 109.53 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -126.2 117.42 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.244 -0.91 . . . . 0.0 109.316 179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.32 -174.66 2.6 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.269 -0.894 . . . . 0.0 109.312 179.786 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -103.93 140.42 37.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.584 -0.697 . . . . 0.0 109.514 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -151.88 102.9 2.87 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.194 -0.941 . . . . 0.0 109.347 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.8 -95.46 0.91 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.34 -3.15 2.18 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.312 -1.111 . . . . 0.0 109.444 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.69 134.95 49.59 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.229 -0.92 . . . . 0.0 109.007 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.3 m -69.96 140.25 52.97 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.12 -0.987 . . . . 0.0 109.362 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.2 m -111.43 175.37 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 O-C-N 121.154 -0.966 . . . . 0.0 109.807 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.29 134.48 34.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.566 -0.709 . . . . 0.0 109.709 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.4 HD22 ' C ' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -122.14 120.04 28.44 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 121.297 -0.877 . . . . 0.0 109.251 179.786 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -89.31 -16.53 2.1 Favored 'Trans proline' 0 N--CA 1.478 0.616 0 C-N-CA 124.698 3.599 . . . . 0.0 110.201 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' C ' HD22 ' A' ' 44' ' ' ASN . 1.6 p30 -127.36 85.93 59.79 Favored Pre-proline 0 CA--C 1.531 0.238 0 O-C-N 121.25 -0.906 . . . . 0.0 109.296 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -88.88 173.96 4.03 Favored 'Trans proline' 0 N--CA 1.478 0.562 1 C-N-CA 125.352 4.035 . . . . 0.0 110.23 -179.846 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.435 ' CG2' ' CG ' ' A' ' 51' ' ' GLU . 10.1 t -151.57 -134.31 0.06 Allowed 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.157 -0.964 . . . . 0.0 109.863 -179.774 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.425 ' C ' ' H ' ' A' ' 51' ' ' GLU . 13.3 m -145.38 -42.95 0.22 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.345 -0.847 . . . . 0.0 108.872 -179.672 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -65.83 -0.55 2.29 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.562 -0.711 . . . . 0.0 109.523 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 72.5 mm-40 -95.7 56.96 1.82 Allowed 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.206 -0.934 . . . . 0.0 108.693 179.542 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p30 41.39 69.48 0.34 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.183 0.516 . . . . 0.0 110.651 -179.452 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 3.4 t-20 59.98 87.49 0.08 Allowed 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.322 -0.862 . . . . 0.0 108.931 179.785 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -88.04 39.17 3.12 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 107.962 -2.055 . . . . 0.0 107.962 178.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.51 -15.2 6.06 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 107.851 -2.1 . . . . 0.0 107.851 -178.848 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ASP . 35.1 m -111.29 113.63 26.24 Favored 'General case' 0 N--CA 1.463 0.175 0 O-C-N 121.534 -0.98 . . . . 0.0 108.985 179.308 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' CYS . 33.4 t0 -29.48 138.83 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.378 0.608 . . . . 0.0 111.894 -179.157 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.88 -29.61 42.36 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.52 -0.738 . . . . 0.0 109.114 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.62 -13.89 33.49 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.468 -0.77 . . . . 0.0 109.172 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.74 156.72 17.87 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 121.184 -0.948 . . . . 0.0 109.729 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CD ' ' H ' ' A' ' 62' ' ' CYS . 0.0 OUTLIER -79.05 167.9 20.42 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.35 -0.843 . . . . 0.0 109.517 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.439 ' H ' ' CD ' ' A' ' 61' ' ' LYS . 53.3 t -138.44 137.31 37.09 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.273 -0.892 . . . . 0.0 109.431 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -125.57 139.76 53.32 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.21 -0.931 . . . . 0.0 109.407 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.92 1.32 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.415 -0.803 . . . . 0.0 109.364 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -66.41 83.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.451 -0.781 . . . . 0.0 109.723 -179.703 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.2 t0 52.04 -119.02 1.39 Allowed 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.392 -0.817 . . . . 0.0 109.978 179.556 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t 65.69 52.88 1.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.22 -0.925 . . . . 0.0 109.425 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.64 -140.0 10.92 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.403 ' H ' ' HG3' ' A' ' 73' ' ' LYS . 12.7 t -164.36 -123.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.288 -1.125 . . . . 0.0 109.438 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 t30 60.02 19.61 8.75 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.237 -0.914 . . . . 0.0 109.392 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.16 -58.4 5.04 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 114.88 13.15 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.256 -1.144 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.403 ' HG3' ' H ' ' A' ' 69' ' ' SER . 2.3 mmtt -111.63 125.26 53.75 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.27 -0.894 . . . . 0.0 109.467 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.37 118.54 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 O-C-N 121.22 -0.925 . . . . 0.0 109.318 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.19 154.79 21.87 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.237 -0.914 . . . . 0.0 109.646 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.9 m -121.34 140.16 52.47 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.289 -0.882 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -140.19 107.28 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.155 -0.966 . . . . 0.0 109.51 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.4 ' C ' ' H ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -78.03 104.5 8.63 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.264 -0.898 . . . . 0.0 109.242 179.842 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -76.12 44.76 0.33 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.258 -0.901 . . . . 0.0 109.566 -179.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 78' ' ' CYS . 6.2 mmtm -121.81 168.69 10.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.208 -0.932 . . . . 0.0 109.237 179.894 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.409 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 11.2 Cg_endo -87.11 -46.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 125.167 3.912 . . . . 0.0 109.844 179.813 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.409 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 66.3 m-20 -82.88 19.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.387 -0.821 . . . . 0.0 108.79 179.384 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 t -56.6 110.79 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.532 -0.73 . . . . 0.0 109.45 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -141.59 70.17 25.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 O-C-N 121.321 -0.862 . . . . 0.0 109.21 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -31.08 122.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.766 1 C-N-CA 126.168 4.578 . . . . 0.0 111.078 -179.879 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.1 mt -79.75 -2.88 45.09 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.215 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.402 ' CD2' HD13 ' A' ' 90' ' ' ILE . 82.4 m-85 -151.93 -110.92 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.01 24.35 13.13 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.675 179.54 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.93 55.14 0.79 Allowed Glycine 0 CA--C 1.53 1.003 0 C-N-CA 119.707 -1.235 . . . . 0.0 110.208 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.402 HD13 ' CD2' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -128.0 -18.56 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 O-C-N 121.131 -1.217 . . . . 0.0 109.221 179.339 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.497 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 32.1 m-85 -137.66 57.6 1.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.325 -0.859 . . . . 0.0 109.508 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.0 m -62.03 -164.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.148 -0.97 . . . . 0.0 109.393 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.03 134.4 40.11 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.22 -0.925 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 13.0 p -61.3 -173.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.882 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -77.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.266 -0.896 . . . . 0.0 109.5 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.429 179.981 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.3 mm -104.16 89.95 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 121.313 -0.867 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -115.05 34.41 4.86 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.1 -1.0 . . . . 0.0 109.482 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.446 ' C ' ' H ' ' A' ' 6' ' ' GLN . 3.8 tt0 -154.52 142.59 20.25 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.206 -0.934 . . . . 0.0 109.367 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.469 ' HB3' ' HG ' ' A' ' 93' ' ' SER . 0.0 OUTLIER 69.73 -8.64 0.76 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.489 -0.757 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.446 ' H ' ' C ' ' A' ' 4' ' ' GLN . 0.7 OUTLIER -63.92 89.61 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.036 -1.04 . . . . 0.0 109.579 179.792 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.5 m -80.06 164.46 23.38 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.308 -0.87 . . . . 0.0 109.384 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.48 -126.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 O-C-N 121.173 -0.954 . . . . 0.0 109.434 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -69.6 -88.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.167 -0.958 . . . . 0.0 109.329 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HB3' ' HZ1' ' A' ' 10' ' ' LYS . 1.1 mtmp? 57.35 -166.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.232 -0.917 . . . . 0.0 109.399 179.877 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -154.14 76.84 1.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.167 -0.958 . . . . 0.0 109.523 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.3 m -89.77 116.1 65.52 Favored Pre-proline 0 CA--C 1.538 0.494 0 O-C-N 121.236 -0.915 . . . . 0.0 109.28 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -87.13 177.43 3.93 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 124.433 3.422 . . . . 0.0 110.453 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.75 177.15 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.254 -0.904 . . . . 0.0 109.552 -179.877 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 56.8 19.06 4.16 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.278 -0.889 . . . . 0.0 109.404 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t -173.58 128.18 0.42 Allowed 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.211 -0.931 . . . . 0.0 109.449 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.06 163.32 12.92 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.32 161.69 30.2 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.291 -1.123 . . . . 0.0 109.669 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -167.28 116.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.28 -0.887 . . . . 0.0 109.328 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' H ' ' HA ' ' A' ' 5' ' ' HIS . 1.3 ttt180 -68.26 113.37 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.297 -0.877 . . . . 0.0 109.048 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.32 140.41 27.12 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.361 -0.837 . . . . 0.0 109.542 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.421 ' H ' ' CD1' ' A' ' 22' ' ' LEU . 6.4 mp -65.15 -5.02 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.347 -0.846 . . . . 0.0 109.498 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.75 32.95 2.68 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.224 -0.922 . . . . 0.0 109.306 179.722 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 63.09 24.84 14.67 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.22 -0.925 . . . . 0.0 109.55 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -112.8 176.5 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.21 -0.931 . . . . 0.0 109.11 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -136.47 123.12 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.21 -0.931 . . . . 0.0 109.474 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.27 161.92 41.85 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.291 -0.881 . . . . 0.0 109.507 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 m -102.35 115.21 30.08 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.312 -0.867 . . . . 0.0 109.359 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -93.3 139.85 30.19 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.177 -0.952 . . . . 0.0 108.927 179.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 m -56.14 163.49 1.57 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.133 -0.98 . . . . 0.0 109.421 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.419 HD21 ' CD2' ' A' ' 87' ' ' PHE . 69.4 mt -82.95 -169.16 2.37 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.25 156.89 38.64 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.205 -0.934 . . . . 0.0 109.453 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 m120 60.55 14.71 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.26 -0.9 . . . . 0.0 109.287 -179.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -129.74 117.28 20.04 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.474 -0.766 . . . . 0.0 109.285 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.4 -170.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.326 -0.858 . . . . 0.0 109.349 179.899 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -109.45 142.78 39.97 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.657 -0.652 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -154.7 68.56 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.269 -0.895 . . . . 0.0 109.483 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.39 -111.34 3.68 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -119.73 8.72 11.23 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.291 -1.123 . . . . 0.0 109.481 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.81 133.64 27.24 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.295 -0.878 . . . . 0.0 109.212 179.799 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.3 m -70.62 138.04 50.46 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.147 -0.971 . . . . 0.0 109.396 -179.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.1 m -108.81 179.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 121.256 -0.902 . . . . 0.0 109.405 179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -77.27 129.91 36.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.28 -0.887 . . . . 0.0 109.308 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.411 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 11.0 t-20 -94.31 113.04 59.84 Favored Pre-proline 0 CA--C 1.535 0.375 0 O-C-N 121.419 -0.8 . . . . 0.0 109.396 -179.845 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 11.8 Cg_endo -89.04 -15.4 2.5 Favored 'Trans proline' 0 N--CA 1.476 0.492 0 C-N-CA 124.852 3.701 . . . . 0.0 109.971 179.753 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -136.89 80.87 35.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 121.407 -0.808 . . . . 0.0 109.462 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -88.73 112.89 0.66 Allowed 'Trans proline' 0 N--CA 1.478 0.604 1 C-N-CA 125.422 4.082 . . . . 0.0 110.047 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.478 HG21 ' H ' ' A' ' 49' ' ' CYS . 53.1 m -103.51 164.5 11.62 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.275 -0.891 . . . . 0.0 109.696 -179.404 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.478 ' H ' HG21 ' A' ' 48' ' ' THR . 57.6 m -115.97 -35.66 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.303 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -66.38 -7.79 21.37 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.72 52.48 2.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.82 63.81 1.22 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.036 0.446 . . . . 0.0 111.173 -179.58 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.67 80.44 0.21 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.378 -0.826 . . . . 0.0 109.28 179.037 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.36 -55.88 24.54 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.49 15.81 0.85 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 108.576 -1.81 . . . . 0.0 108.576 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.67 171.17 14.92 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 118.024 -1.47 . . . . 0.0 108.767 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.37 130.91 48.37 Favored 'General case' 0 C--O 1.225 -0.214 0 O-C-N 120.834 -1.166 . . . . 0.0 108.246 179.787 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.73 -35.64 56.26 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.688 -0.632 . . . . 0.0 110.045 -179.037 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.35 0.37 54.12 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.061 -1.024 . . . . 0.0 109.477 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.62 -179.16 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.366 -0.834 . . . . 0.0 109.987 -179.653 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -116.4 123.4 47.47 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.382 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.6 t -79.42 136.65 37.01 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.268 -0.895 . . . . 0.0 109.217 -179.786 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.47 151.99 39.98 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.206 -0.934 . . . . 0.0 109.692 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -131.63 14.87 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.313 -0.867 . . . . 0.0 109.159 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.89 -178.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.365 -0.835 . . . . 0.0 109.682 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.1 t0 56.45 17.48 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.373 -0.829 . . . . 0.0 109.761 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.87 -67.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.244 -0.91 . . . . 0.0 109.483 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.42 174.58 18.98 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.25 -165.73 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.23 -1.159 . . . . 0.0 109.48 -179.914 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.59 -47.2 5.44 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.269 -0.894 . . . . 0.0 109.546 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.24 -103.65 0.07 OUTLIER Glycine 0 CA--C 1.529 0.922 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.6 179.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.234 -1.156 . . . . 0.0 109.601 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -58.42 154.68 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.378 -0.826 . . . . 0.0 109.61 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.8 mm -130.44 136.41 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 O-C-N 121.371 -0.83 . . . . 0.0 109.206 -179.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.45 142.88 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.142 -0.974 . . . . 0.0 109.599 -179.855 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 57.4 m -96.7 160.01 14.61 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.282 -0.886 . . . . 0.0 109.409 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -143.6 101.04 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.346 -0.846 . . . . 0.0 109.108 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 125.85 29.97 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.25 -0.906 . . . . 0.0 109.109 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.51 -5.85 53.49 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.245 -0.91 . . . . 0.0 109.716 -179.687 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 169.16 13.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 121.213 -0.929 . . . . 0.0 109.402 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.445 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 14.3 Cg_endo -89.56 -49.18 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.621 1 C-N-CA 125.319 4.013 . . . . 0.0 110.238 179.846 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.445 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -83.77 21.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.329 -0.857 . . . . 0.0 109.082 179.787 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.29 121.12 16.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.492 -0.755 . . . . 0.0 109.421 -179.849 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -140.87 75.09 25.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 121.35 -0.844 . . . . 0.0 109.406 -179.692 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -30.67 115.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.482 0.832 1 C-N-CA 126.097 4.531 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.451 ' CD1' ' CD2' ' A' ' 5' ' ' HIS . 24.6 mt -75.47 -38.73 59.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.52 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.419 ' CD2' HD21 ' A' ' 31' ' ' LEU . 6.8 m-85 -105.7 -104.01 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -121.4 26.95 8.57 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 121.771 -0.581 . . . . 0.0 109.643 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.15 -18.65 13.96 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 119.674 -1.25 . . . . 0.0 110.241 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.453 ' CD1' ' CE2' ' A' ' 91' ' ' PHE . 1.7 pt -61.51 -20.97 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 O-C-N 120.928 -1.337 . . . . 0.0 109.457 -179.723 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.453 ' CE2' ' CD1' ' A' ' 90' ' ' ILE . 18.9 m-85 -138.96 92.69 2.62 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.108 -0.995 . . . . 0.0 109.627 179.814 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 25.0 m -83.17 63.18 7.03 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.068 -1.02 . . . . 0.0 109.399 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.469 ' HG ' ' HB3' ' A' ' 5' ' ' HIS . 26.8 t -71.47 -148.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.197 -0.939 . . . . 0.0 109.544 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -121.88 134.04 54.87 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.242 -0.911 . . . . 0.0 109.427 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.4 -176.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.274 -0.891 . . . . 0.0 109.578 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.444 179.991 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.3 m120 . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 mm -80.12 86.63 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 O-C-N 121.21 -0.931 . . . . 0.0 109.355 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.4 ' HG ' ' HB2' ' A' ' 84' ' ' TYR . 1.8 m -91.66 164.74 13.63 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.318 -0.864 . . . . 0.0 109.428 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -64.5 -11.95 39.18 Favored 'General case' 0 C--N 1.332 -0.196 0 O-C-N 121.192 -0.943 . . . . 0.0 109.217 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.421 ' CG ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -63.58 -17.46 62.86 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.292 -0.88 . . . . 0.0 109.406 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.56 98.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.393 -0.817 . . . . 0.0 109.484 -179.836 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.4 m -72.23 152.48 42.18 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.327 -0.858 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.436 HG13 ' H ' ' A' ' 9' ' ' LYS . 11.2 t -78.06 -121.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.214 -0.929 . . . . 0.0 109.444 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' H ' HG13 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -76.66 58.42 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.256 -0.903 . . . . 0.0 109.488 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.95 -72.76 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.284 -0.885 . . . . 0.0 109.383 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 62.37 165.23 0.1 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.252 -0.905 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.12 158.86 0.69 Allowed Pre-proline 0 CA--C 1.534 0.35 0 O-C-N 121.117 -0.989 . . . . 0.0 109.648 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -31.1 152.41 0.02 OUTLIER 'Trans proline' 0 N--CA 1.483 0.87 1 C-N-CA 126.486 4.791 . . . . 0.0 111.739 -178.917 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.79 177.84 2.88 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 121.393 -0.817 . . . . 0.0 109.126 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m120 56.74 21.65 6.14 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -179.222 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.4 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 14.8 t -151.77 146.77 25.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.271 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.11 150.29 17.19 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.58 164.6 26.4 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.156 -1.203 . . . . 0.0 108.91 179.675 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 53.3 t80 -156.4 99.11 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.045 -1.035 . . . . 0.0 110.021 -179.36 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -72.13 -111.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.284 -0.885 . . . . 0.0 108.859 179.142 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.504 ' CD2' ' CE1' ' A' ' 19' ' ' PHE . 15.5 m-70 58.44 -153.77 0.37 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.436 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 1.0 OUTLIER 58.73 12.22 2.13 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.372 -0.83 . . . . 0.0 109.507 -179.852 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.9 -42.1 0.3 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -162.69 12.31 0.07 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 121.14 -0.975 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -112.19 116.66 30.81 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 120.864 -1.147 . . . . 0.0 109.73 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -113.76 151.87 31.37 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.311 -0.868 . . . . 0.0 109.516 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -153.71 164.14 38.8 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.193 -0.942 . . . . 0.0 109.865 179.876 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.45 108.31 19.51 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.474 -0.766 . . . . 0.0 108.981 179.783 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.15 136.88 48.69 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.281 -0.887 . . . . 0.0 109.23 -179.563 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 3.5 m -54.34 159.06 2.11 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.179 -0.95 . . . . 0.0 109.929 -179.507 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.8 mt -75.98 -164.77 0.4 Allowed 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.396 -0.815 . . . . 0.0 109.971 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.68 154.75 41.56 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 121.398 -0.814 . . . . 0.0 110.009 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 m120 59.72 12.52 2.98 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.479 -0.763 . . . . 0.0 109.924 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -126.28 121.34 32.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.299 -0.875 . . . . 0.0 109.403 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.24 -170.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.311 -0.868 . . . . 0.0 108.964 179.372 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -119.93 130.87 55.01 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.569 -0.707 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -145.16 114.89 7.29 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.241 -0.912 . . . . 0.0 109.551 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.57 -102.23 1.09 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.8 13.3 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.271 -1.135 . . . . 0.0 109.435 -179.829 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -143.32 133.91 25.01 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.235 -0.916 . . . . 0.0 109.355 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.96 151.79 45.2 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.156 -0.965 . . . . 0.0 109.17 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.1 m -129.17 168.92 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 121.274 -0.891 . . . . 0.0 109.607 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -69.38 116.04 9.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.139 -0.976 . . . . 0.0 109.438 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.583 HD21 ' H ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -79.85 123.72 83.65 Favored Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 121.268 -0.895 . . . . 0.0 109.335 -179.945 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.492 ' CD ' HD21 ' A' ' 44' ' ' ASN . 14.5 Cg_endo -90.28 -15.58 1.91 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 124.705 3.603 . . . . 0.0 110.1 179.688 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.583 ' H ' HD21 ' A' ' 44' ' ' ASN . 3.1 p30 -146.41 90.09 5.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 O-C-N 121.33 -0.856 . . . . 0.0 109.671 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -89.15 132.64 2.29 Favored 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 125.284 3.989 . . . . 0.0 109.675 179.594 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.414 ' CG2' ' CG ' ' A' ' 51' ' ' GLU . 7.5 t -112.22 -162.33 0.79 Allowed 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.223 -0.923 . . . . 0.0 110.166 -179.305 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 61.1 m -151.5 -35.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -68.31 -1.49 6.4 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.414 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 66.2 mm-40 -97.64 50.38 1.05 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.257 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 p30 41.6 72.79 0.15 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.715 -179.293 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 57' ' ' ASP . 10.8 t-20 70.66 81.6 0.16 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.755 0.788 . . . . 0.0 110.115 179.55 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.49 -58.07 16.49 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 178.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.34 12.73 2.77 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.538 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.417 ' C ' HD22 ' A' ' 53' ' ' ASN . 36.0 m -77.8 -164.64 0.53 Allowed 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.916 -1.344 . . . . 0.0 109.255 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.499 ' N ' HD22 ' A' ' 53' ' ' ASN . 60.6 t0 -54.26 -98.65 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.318 -0.864 . . . . 0.0 110.201 179.442 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -161.93 -47.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -100.67 -9.84 21.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.814 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.38 168.15 15.02 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.676 -0.64 . . . . 0.0 109.672 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -99.96 119.54 38.4 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.302 -0.874 . . . . 0.0 109.207 179.707 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.3 t -79.68 140.48 37.01 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.234 -0.916 . . . . 0.0 109.481 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.73 148.26 52.49 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.282 -0.886 . . . . 0.0 109.163 179.739 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -141.99 -0.22 1.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.153 -0.967 . . . . 0.0 109.677 -179.808 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -74.59 71.87 1.9 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.08 -1.013 . . . . 0.0 109.503 -179.849 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.98 -173.68 3.79 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.183 -0.948 . . . . 0.0 109.439 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 t 176.1 168.27 0.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.209 -0.932 . . . . 0.0 109.478 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.62 29.3 1.18 Allowed Glycine 0 CA--C 1.529 0.936 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 t -138.5 -123.81 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.187 -1.184 . . . . 0.0 109.487 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -97.39 -82.77 0.41 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.301 -0.874 . . . . 0.0 109.442 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.27 -112.43 1.3 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.52 147.04 25.73 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.3 -1.118 . . . . 0.0 109.493 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 143.26 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.205 -0.934 . . . . 0.0 109.312 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mm -139.94 116.43 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 121.228 -0.92 . . . . 0.0 109.616 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.75 158.52 21.73 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.24 -0.913 . . . . 0.0 109.206 179.776 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 92.2 m -130.64 111.46 12.23 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.202 -0.936 . . . . 0.0 109.558 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.17 91.73 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.164 -0.96 . . . . 0.0 108.773 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.04 137.25 34.35 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.172 -0.955 . . . . 0.0 110.629 -178.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.9 m -125.81 81.97 2.03 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.869 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -136.69 170.43 10.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.088 -1.007 . . . . 0.0 109.604 -179.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -92.83 139.42 1.74 Allowed 'Trans proline' 0 N--CA 1.477 0.529 1 C-N-CA 125.597 4.198 . . . . 0.0 110.235 179.691 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.78 3.87 2.69 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.217 -0.927 . . . . 0.0 109.598 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.422 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 11.9 m -95.98 135.44 37.74 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 121.214 -0.929 . . . . 0.0 108.814 179.826 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 83' ' ' SER . 16.3 m-85 -150.13 145.83 19.31 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 121.242 -0.911 . . . . 0.0 108.913 -179.602 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -35.36 100.76 0.03 OUTLIER 'Trans proline' 0 N--CA 1.483 0.911 1 C-N-CA 125.496 4.131 . . . . 0.0 109.741 179.609 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.421 HD13 ' CG ' ' A' ' 5' ' ' HIS . 80.9 mt -88.46 -20.25 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.227 -0.921 . . . . 0.0 110.027 -179.017 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.431 ' CD2' ' CD1' ' A' ' 90' ' ' ILE . 96.5 m-85 -143.69 -42.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.031 -1.043 . . . . 0.0 110.241 -179.349 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.41 15.33 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.272 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 138.87 -21.56 3.01 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 119.214 -1.469 . . . . 0.0 111.02 179.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 57' ' ' ASP . 1.5 pt -63.26 -7.98 3.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 119.945 -1.915 . . . . 0.0 108.749 179.514 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 79.9 m-85 -154.47 93.26 1.57 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.827 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.52 -176.51 3.07 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.811 -1.18 . . . . 0.0 112.069 -177.342 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -105.26 -61.09 1.53 Allowed 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.547 179.608 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 m -170.58 48.59 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.442 -0.787 . . . . 0.0 109.452 -179.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.7 t -58.33 134.17 56.35 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.198 -0.939 . . . . 0.0 109.412 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.0 t30 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.41 179.955 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 mm -113.77 88.22 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 121.298 -0.877 . . . . 0.0 109.423 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p -91.36 155.4 18.52 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.312 -0.867 . . . . 0.0 109.408 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.61 125.72 14.58 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.245 -0.909 . . . . 0.0 109.497 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.06 28.95 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.249 -0.907 . . . . 0.0 109.399 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -54.84 -87.27 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.228 -0.92 . . . . 0.0 109.384 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.68 -170.37 1.99 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.221 -0.925 . . . . 0.0 109.52 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.85 -45.76 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 O-C-N 121.275 -0.891 . . . . 0.0 109.631 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -171.57 99.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.186 -0.946 . . . . 0.0 109.668 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.13 158.12 27.05 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.318 -0.864 . . . . 0.0 109.414 179.843 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.94 158.51 18.65 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.253 -0.905 . . . . 0.0 109.495 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 4.8 t -157.12 142.12 12.26 Favored Pre-proline 0 CA--C 1.536 0.422 0 O-C-N 121.311 -0.868 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 21.5 Cg_endo -89.98 159.2 4.92 Favored 'Trans proline' 0 N--CA 1.479 0.632 0 C-N-CA 124.549 3.499 . . . . 0.0 110.344 179.652 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -55.6 175.64 0.08 Allowed 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.242 -0.911 . . . . 0.0 109.419 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 55.55 36.71 27.71 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.209 -0.932 . . . . 0.0 109.33 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -164.45 118.51 1.39 Allowed 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.252 -0.905 . . . . 0.0 109.568 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.35 156.03 22.02 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.41 154.77 20.93 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.102 -1.234 . . . . 0.0 109.555 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -163.97 134.44 4.3 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.284 -0.885 . . . . 0.0 109.412 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' C ' ' H ' ' A' ' 22' ' ' LEU . 1.3 ttp180 -74.61 147.04 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.234 -0.916 . . . . 0.0 109.174 179.847 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.565 ' C ' ' H ' ' A' ' 23' ' ' ASP . 6.1 m170 -77.48 13.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.168 -0.957 . . . . 0.0 109.647 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' H ' ' C ' ' A' ' 20' ' ' ARG . 3.1 mm? 64.35 -10.09 0.15 Allowed 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.71 -0.619 . . . . 0.0 110.022 -179.119 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.565 ' H ' ' C ' ' A' ' 21' ' ' HIS . 35.1 p-10 -116.95 45.69 1.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.158 -0.964 . . . . 0.0 109.18 179.829 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 71.65 -42.14 0.52 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.739 -0.601 . . . . 0.0 110.063 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.434 ' H ' ' C ' ' A' ' 23' ' ' ASP . 2.2 ttm180 -61.85 145.65 52.05 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.008 -1.058 . . . . 0.0 109.509 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -121.18 138.79 54.05 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.231 -0.918 . . . . 0.0 109.129 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.63 178.03 7.9 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.146 -0.971 . . . . 0.0 109.658 -179.801 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.33 121.81 33.64 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.316 -0.865 . . . . 0.0 109.449 -179.893 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -104.2 137.7 41.74 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.23 -0.919 . . . . 0.0 108.904 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -54.34 162.3 1.12 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.199 -0.938 . . . . 0.0 109.638 -179.639 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.5 mt -74.6 -166.8 0.48 Allowed 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.336 -0.852 . . . . 0.0 109.876 -179.481 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mt -71.56 155.55 40.42 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.293 -0.88 . . . . 0.0 109.408 179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 m120 57.03 18.4 3.98 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.238 -0.914 . . . . 0.0 109.351 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -128.71 118.88 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.358 -0.839 . . . . 0.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.19 -171.33 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.265 -0.897 . . . . 0.0 109.219 179.783 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -133.53 129.69 37.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.549 -0.72 . . . . 0.0 109.345 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -138.64 95.21 2.94 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.232 -0.917 . . . . 0.0 109.496 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.09 -97.57 2.27 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.626 -1.389 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -138.8 13.16 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.252 -1.146 . . . . 0.0 109.57 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' HG2' ' HZ1' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -140.47 130.03 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.224 -0.922 . . . . 0.0 109.5 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.1 m -77.13 151.72 35.24 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.314 -0.866 . . . . 0.0 109.514 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.7 m -132.35 177.84 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 121.129 -0.982 . . . . 0.0 109.24 179.765 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.48 115.99 15.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.093 -1.004 . . . . 0.0 109.374 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.3 t-20 -78.04 128.05 79.84 Favored Pre-proline 0 CA--C 1.535 0.374 0 O-C-N 121.334 -0.854 . . . . 0.0 109.339 -179.906 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 18.3 Cg_endo -90.93 -15.98 1.54 Allowed 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 124.721 3.614 . . . . 0.0 110.071 179.764 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.04 84.22 4.11 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.216 -0.927 . . . . 0.0 109.646 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -90.72 163.17 4.16 Favored 'Trans proline' 0 N--CA 1.476 0.494 1 C-N-CA 125.539 4.159 . . . . 0.0 109.921 179.778 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.423 ' CG2' ' CG ' ' A' ' 51' ' ' GLU . 10.7 t -163.03 -162.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.127 -0.983 . . . . 0.0 109.823 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.5 m -102.43 -25.07 13.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.381 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -13.42 20.57 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.003 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 2.1 mt-10 -75.78 49.36 0.52 Allowed 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.208 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p30 41.24 61.99 1.62 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.102 0.477 . . . . 0.0 109.963 -178.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 69.5 56.24 0.36 Allowed 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.145 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -46.2 12.37 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 179.796 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.52 -18.21 74.04 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.721 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.46 172.45 6.88 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.134 -1.215 . . . . 0.0 110.233 -179.893 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -61.21 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.391 -0.818 . . . . 0.0 109.501 179.91 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.403 ' H ' ' CG ' ' A' ' 57' ' ' ASP . . . -149.53 -10.33 0.3 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.394 -0.816 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.41 -15.86 2.78 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.274 -0.891 . . . . 0.0 109.524 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.53 176.66 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.106 -0.996 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.14 121.75 42.38 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.156 -0.965 . . . . 0.0 109.433 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.4 t -90.67 149.32 22.12 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.31 -0.869 . . . . 0.0 109.515 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.75 150.11 35.63 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.248 -0.908 . . . . 0.0 109.526 -179.862 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -135.74 15.57 3.36 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.256 -0.903 . . . . 0.0 109.362 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.66 168.35 19.52 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.307 -0.871 . . . . 0.0 109.621 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 59.02 166.78 0.05 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.374 -0.829 . . . . 0.0 110.094 179.571 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.3 m -150.53 -170.41 3.65 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.238 -0.914 . . . . 0.0 109.382 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 165.9 -22.12 0.12 Allowed Glycine 0 CA--C 1.528 0.902 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.8 t -89.29 -149.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.207 -1.172 . . . . 0.0 109.377 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.89 -33.89 6.39 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.287 -0.883 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.93 -113.26 3.36 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.53 136.9 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.307 -1.113 . . . . 0.0 109.48 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.81 145.16 24.78 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.199 -0.938 . . . . 0.0 109.244 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.68 116.01 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 121.195 -0.941 . . . . 0.0 109.601 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.07 177.75 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.325 -0.86 . . . . 0.0 109.318 179.892 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.31 162.25 40.12 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.239 -0.913 . . . . 0.0 110.149 -179.892 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -153.52 103.03 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -76.59 102.07 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.257 -0.902 . . . . 0.0 109.342 -179.716 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -77.33 42.62 0.35 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.272 -0.892 . . . . 0.0 109.671 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -122.31 168.36 11.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 121.218 -0.926 . . . . 0.0 109.295 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.433 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 11.2 Cg_endo -87.41 -44.49 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.581 0 C-N-CA 125.14 3.894 . . . . 0.0 110.08 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.433 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 2.8 m-20 -81.93 15.81 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.248 -0.908 . . . . 0.0 109.199 179.681 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.3 p -63.65 104.81 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.336 -0.852 . . . . 0.0 109.515 -179.855 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.439 ' H ' ' H ' ' A' ' 93' ' ' SER . 6.9 m-85 -127.01 69.57 73.56 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.273 -0.892 . . . . 0.0 109.228 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -32.2 150.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.481 0.741 1 C-N-CA 126.168 4.579 . . . . 0.0 110.807 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.6 mt -117.9 -46.33 2.64 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.235 -0.915 . . . . 0.0 109.594 -179.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -108.82 -13.16 14.81 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.145 -0.972 . . . . 0.0 109.531 -179.758 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 166.82 -48.56 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.58 8.29 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.404 ' O ' ' CG ' ' A' ' 91' ' ' PHE . 1.5 pt -89.23 17.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 O-C-N 121.23 -1.159 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 90' ' ' ILE . 70.6 m-85 -154.2 37.89 0.44 Allowed 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.317 -0.864 . . . . 0.0 109.436 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.4 m -56.01 116.16 2.83 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.123 -0.985 . . . . 0.0 109.378 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.439 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -58.29 151.63 19.12 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.25 -0.906 . . . . 0.0 109.417 179.978 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.17 154.6 12.76 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.322 -0.861 . . . . 0.0 109.431 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -174.62 102.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.272 -0.893 . . . . 0.0 109.377 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.018 -0.992 . . . . 0.0 109.399 -179.966 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 121.271 0.558 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.0 mm -86.51 29.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 121.202 -0.936 . . . . 0.0 109.538 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.95 -151.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.229 -0.919 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 65.62 148.04 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.265 -0.897 . . . . 0.0 109.484 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.455 ' CE1' ' ND1' ' A' ' 21' ' ' HIS . 1.8 m-70 57.49 29.68 17.45 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.306 -0.871 . . . . 0.0 109.456 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -67.15 -108.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.298 -0.876 . . . . 0.0 109.347 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.02 162.35 0.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.334 -0.854 . . . . 0.0 109.012 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.406 ' CG1' ' NH1' ' A' ' 20' ' ' ARG . 0.9 OUTLIER -164.12 123.96 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 O-C-N 121.044 -1.035 . . . . 0.0 109.88 -179.681 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mttt 53.28 55.52 8.65 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.417 -0.802 . . . . 0.0 109.749 179.649 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HZ1' ' HB3' ' A' ' 26' ' ' GLU . 7.6 ttpm? -166.6 125.86 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.203 -0.936 . . . . 0.0 109.509 179.898 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -121.28 89.02 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.291 -0.881 . . . . 0.0 109.271 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.0 173.38 2.62 Favored Pre-proline 0 CA--C 1.532 0.258 0 O-C-N 121.161 -0.962 . . . . 0.0 108.874 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -89.36 165.34 5.45 Favored 'Trans proline' 0 N--CA 1.478 0.57 1 C-N-CA 125.343 4.028 . . . . 0.0 110.587 -179.827 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -57.05 175.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.319 -0.863 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 3.8 m120 55.25 26.33 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.192 -0.942 . . . . 0.0 109.282 -179.915 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.52 163.15 40.14 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.255 -0.903 . . . . 0.0 109.501 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.81 -168.94 11.95 Favored Glycine 0 CA--C 1.532 1.097 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.0 t -111.44 153.64 25.82 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.103 -1.233 . . . . 0.0 110.154 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.525 ' CE1' ' CD1' ' A' ' 91' ' ' PHE . 0.3 OUTLIER -148.51 106.47 3.71 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.754 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' NH1' ' CG1' ' A' ' 8' ' ' VAL . 29.9 ttp180 -128.96 85.3 2.31 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.11 -0.994 . . . . 0.0 110.413 -179.157 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.481 ' NE2' ' CZ ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 177.97 -179.61 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.56 -0.712 . . . . 0.0 109.384 179.065 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 mt 65.95 3.9 2.79 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.771 0.796 . . . . 0.0 109.694 -179.768 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' H ' ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -171.0 4.89 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.588 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' H ' ' H ' ' A' ' 23' ' ' ASP . 19.3 mt-10 51.64 23.62 2.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.245 0.545 . . . . 0.0 109.611 -179.905 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -110.8 169.56 8.68 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.23 -0.919 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' HB3' ' HZ1' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -115.57 125.79 53.41 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.232 -0.918 . . . . 0.0 109.6 -179.808 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -145.63 159.36 43.26 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.233 -0.917 . . . . 0.0 109.672 179.831 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 69.7 m -109.9 126.79 54.23 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.384 -0.822 . . . . 0.0 109.275 179.77 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -107.19 176.34 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.22 -0.925 . . . . 0.0 108.76 179.695 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.47 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 4.1 m -98.36 158.71 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 120.995 -1.065 . . . . 0.0 108.757 179.474 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.9 mt -73.77 -169.18 0.68 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.068 -1.02 . . . . 0.0 109.632 -179.582 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mt -71.81 158.14 36.63 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.222 -0.924 . . . . 0.0 109.139 179.769 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.2 16.56 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.259 -0.9 . . . . 0.0 109.157 -179.757 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 15' ' ' ASN . 14.1 m-85 -129.8 118.64 22.1 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.419 -0.8 . . . . 0.0 109.381 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.49 -174.31 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.192 -0.943 . . . . 0.0 109.169 179.574 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.82 148.81 26.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.524 -0.735 . . . . 0.0 109.581 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -160.32 113.14 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.178 -0.951 . . . . 0.0 109.474 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.8 -92.63 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -139.07 -0.02 1.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.195 -1.179 . . . . 0.0 109.584 -179.84 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -129.29 133.98 47.73 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.22 -0.925 . . . . 0.0 109.529 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 55.6 m -70.73 137.81 50.0 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.211 -0.93 . . . . 0.0 109.235 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.5 m -110.34 179.35 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 121.204 -0.935 . . . . 0.0 109.674 -179.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.22 142.69 41.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.396 -0.815 . . . . 0.0 109.29 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.84 65.91 37.07 Favored Pre-proline 0 C--N 1.332 -0.175 0 O-C-N 121.242 -0.911 . . . . 0.0 109.707 -179.753 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -36.49 -31.17 0.1 OUTLIER 'Trans proline' 0 N--CA 1.481 0.756 1 C-N-CA 125.803 4.335 . . . . 0.0 110.407 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -128.72 98.72 24.21 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 121.332 -0.855 . . . . 0.0 109.549 -179.741 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -86.44 169.56 8.26 Favored 'Trans proline' 0 N--CA 1.481 0.737 0 C-N-CA 125.006 3.804 . . . . 0.0 109.964 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.41 ' CG2' ' HB2' ' A' ' 51' ' ' GLU . 12.5 t -152.53 -142.58 0.12 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.045 -1.035 . . . . 0.0 110.055 -179.605 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' N ' ' CG2' ' A' ' 48' ' ' THR . 73.2 m -148.94 -46.17 0.14 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.621 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -68.52 4.68 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.568 -0.708 . . . . 0.0 110.137 -179.534 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' HB2' ' CG2' ' A' ' 48' ' ' THR . 80.4 mt-10 -108.74 58.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.049 -1.032 . . . . 0.0 108.757 179.605 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.74 75.95 0.08 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.113 0.483 . . . . 0.0 110.092 -179.425 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.454 HD21 ' C ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER 63.75 92.14 0.07 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 122.386 1.089 . . . . 0.0 108.866 -179.608 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.77 24.3 10.99 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 107.928 -2.069 . . . . 0.0 107.928 179.595 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 53' ' ' ASN . . . 127.93 -5.08 6.94 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -178.902 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.454 ' C ' HD21 ' A' ' 53' ' ' ASN . 99.1 m -111.01 132.51 54.16 Favored 'General case' 0 CA--C 1.526 0.057 0 O-C-N 121.232 -1.158 . . . . 0.0 108.909 179.471 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 56' ' ' CYS . 0.0 OUTLIER -28.62 123.49 0.12 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.417 0.627 . . . . 0.0 111.431 -179.261 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.9 -26.91 39.05 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.321 -0.862 . . . . 0.0 109.896 -179.31 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.29 -4.58 51.5 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.276 -0.89 . . . . 0.0 109.223 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -91.34 -179.32 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.325 -0.859 . . . . 0.0 110.026 -179.777 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -102.66 103.8 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.209 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.7 t -84.73 131.57 34.55 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.476 -0.765 . . . . 0.0 109.305 -179.633 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.87 147.01 46.24 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.123 -0.986 . . . . 0.0 109.834 -179.47 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.06 11.29 8.87 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.343 -0.848 . . . . 0.0 109.403 179.907 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -83.74 106.92 15.83 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.264 -0.898 . . . . 0.0 109.675 -179.799 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 58.72 167.44 0.05 Allowed 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.409 -0.807 . . . . 0.0 110.012 179.575 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.2 t -176.61 -81.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.077 -1.015 . . . . 0.0 109.464 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 148.79 -0.8 0.55 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.7 m -80.88 -171.51 3.21 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.242 -1.152 . . . . 0.0 109.436 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -116.69 -24.23 7.83 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.213 -0.929 . . . . 0.0 109.426 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.38 -104.98 2.03 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.495 ' H ' ' HZ1' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -89.43 151.22 22.14 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.214 -1.168 . . . . 0.0 109.421 -179.961 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.0 104.94 15.17 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.284 -0.885 . . . . 0.0 109.387 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -145.45 135.79 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 O-C-N 121.372 -0.83 . . . . 0.0 109.404 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.4 145.83 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.214 -0.929 . . . . 0.0 109.664 -179.891 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 m -119.29 119.22 33.38 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.261 -0.899 . . . . 0.0 109.381 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -129.22 108.41 10.32 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 13.3 m -72.41 97.88 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.225 -0.922 . . . . 0.0 109.141 179.796 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 t -62.36 -10.78 12.31 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.234 -0.916 . . . . 0.0 109.494 -179.776 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 171.77 0.28 Allowed Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 121.171 -0.956 . . . . 0.0 109.731 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -92.03 137.07 1.75 Allowed 'Trans proline' 0 N--CA 1.476 0.45 1 C-N-CA 125.615 4.21 . . . . 0.0 109.626 179.505 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.01 12.98 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.061 -1.024 . . . . 0.0 108.878 -179.514 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.2 p -67.66 128.39 36.29 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.454 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 5.6 m-85 -141.99 101.41 5.84 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 121.191 -0.943 . . . . 0.0 109.288 -179.135 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.454 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 23.4 Cg_exo -32.4 116.55 0.08 OUTLIER 'Trans proline' 0 N--CA 1.483 0.887 1 C-N-CA 125.393 4.062 . . . . 0.0 111.212 -179.487 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.52 -48.08 61.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.062 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 90' ' ' ILE . 62.9 m-85 -103.95 -117.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -106.82 32.24 4.71 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.422 -0.799 . . . . 0.0 109.485 179.356 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.75 15.21 13.67 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 119.613 -1.279 . . . . 0.0 110.288 179.5 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 87' ' ' PHE . 1.4 pt -88.11 -27.49 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 120.847 -1.384 . . . . 0.0 109.125 179.811 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.525 ' CD1' ' CE1' ' A' ' 19' ' ' PHE . 21.7 m-85 -130.19 175.12 9.17 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.678 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.4 m -138.67 124.7 20.05 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.9 -1.125 . . . . 0.0 109.324 179.812 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.8 t -55.73 -82.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.235 -0.916 . . . . 0.0 109.436 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.3 t 63.63 51.11 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.043 -1.036 . . . . 0.0 109.47 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.42 175.77 3.82 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.227 -0.921 . . . . 0.0 109.464 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.986 -1.006 . . . . 0.0 109.534 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -60.76 -48.71 80.58 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.257 -0.902 . . . . 0.0 109.291 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 66.03 144.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.292 -0.88 . . . . 0.0 109.45 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.3 p -179.79 101.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.163 -0.961 . . . . 0.0 109.517 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 175.08 -41.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.296 -0.878 . . . . 0.0 109.427 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -98.04 -155.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.31 -0.869 . . . . 0.0 109.305 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -143.26 136.0 27.59 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.046 -1.034 . . . . 0.0 109.987 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 t -116.31 137.26 23.37 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -86.34 176.51 4.92 Favored 'Trans proline' 0 N--CA 1.484 0.933 0 C-N-CA 124.394 3.396 . . . . 0.0 110.955 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -59.85 169.91 1.3 Allowed 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.328 -0.858 . . . . 0.0 109.28 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.856 ' HA ' HD12 ' A' ' 31' ' ' LEU . 57.5 m-20 54.54 25.39 6.2 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 5.0 m -160.38 147.33 15.83 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.588 -0.695 . . . . 0.0 109.501 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.07 163.82 22.29 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.82 162.9 15.26 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.235 -1.156 . . . . 0.0 109.617 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 46.8 t80 -168.02 137.34 2.52 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.229 -0.919 . . . . 0.0 109.537 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 110.32 19.66 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.248 -0.907 . . . . 0.0 109.139 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.579 ' CE1' ' HE ' ' A' ' 25' ' ' ARG . 11.4 m-70 -54.35 142.14 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.319 -0.863 . . . . 0.0 109.584 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.966 ' H ' HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -66.69 -6.97 17.66 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.421 -0.8 . . . . 0.0 109.151 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.97 23.11 6.69 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.3 -0.875 . . . . 0.0 109.421 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 65.58 57.07 0.89 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.197 -0.939 . . . . 0.0 109.636 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.579 ' HE ' ' CE1' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -150.95 128.19 11.25 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.223 -0.923 . . . . 0.0 109.249 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -89.84 127.78 36.05 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.18 -0.95 . . . . 0.0 109.437 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.87 168.34 23.26 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.252 -0.905 . . . . 0.0 109.603 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.3 115.43 22.31 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' NZ ' HD21 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -102.14 143.38 32.02 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.286 -0.884 . . . . 0.0 109.63 -179.112 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 2.8 m -60.78 152.38 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.197 -0.94 . . . . 0.0 109.899 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 15' ' ' ASN . 36.8 mt -59.96 -165.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.542 -0.723 . . . . 0.0 110.053 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.37 162.22 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.38 -0.825 . . . . 0.0 109.731 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 58.07 15.47 3.23 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.344 -0.847 . . . . 0.0 109.711 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.403 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 20.7 m-85 -124.57 165.07 18.49 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.249 -0.907 . . . . 0.0 109.417 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -150.71 -172.22 4.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -112.07 143.64 42.75 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.521 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -166.81 86.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.255 -0.903 . . . . 0.0 109.53 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.72 -113.66 4.75 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.42 11.69 8.68 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.28 -1.129 . . . . 0.0 109.44 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -146.18 142.62 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.327 -0.858 . . . . 0.0 109.148 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 77.7 m -73.3 145.23 46.19 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.224 -0.923 . . . . 0.0 109.372 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.464 HG23 ' HG3' ' A' ' 35' ' ' LYS . 35.1 m -121.17 173.55 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 121.194 -0.941 . . . . 0.0 109.819 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.85 148.21 52.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.248 -0.908 . . . . 0.0 109.528 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.93 68.49 25.37 Favored Pre-proline 0 CA--C 1.531 0.218 0 O-C-N 121.34 -0.85 . . . . 0.0 109.816 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -35.52 -33.34 0.1 Allowed 'Trans proline' 0 N--CA 1.482 0.802 1 C-N-CA 125.815 4.343 . . . . 0.0 110.474 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -137.0 93.01 13.7 Favored Pre-proline 0 CA--C 1.533 0.303 0 O-C-N 121.342 -0.849 . . . . 0.0 109.441 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -90.2 148.19 4.53 Favored 'Trans proline' 0 N--CA 1.477 0.541 1 C-N-CA 125.362 4.042 . . . . 0.0 110.347 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 t -134.2 -167.07 1.9 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.239 -0.913 . . . . 0.0 109.45 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -111.66 -26.12 9.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -70.38 1.61 4.79 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 121.347 -0.846 . . . . 0.0 108.737 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -99.78 51.24 0.92 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.96 73.08 0.14 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.232 0.539 . . . . 0.0 110.546 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.47 HD21 ' NZ ' ' A' ' 29' ' ' LYS . 6.1 t30 59.68 85.14 0.11 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.809 0.814 . . . . 0.0 109.003 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.79 43.94 2.57 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.93 -17.66 5.68 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 108.029 -2.029 . . . . 0.0 108.029 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' ASP . 38.6 m -111.82 110.79 21.33 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.481 -1.011 . . . . 0.0 109.159 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.452 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 31.8 t0 -28.03 136.77 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.401 0.619 . . . . 0.0 111.958 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.93 -32.74 61.52 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -15.78 49.28 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.408 -0.807 . . . . 0.0 108.931 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -91.93 174.46 7.32 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.209 -0.932 . . . . 0.0 109.453 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -99.43 168.59 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.327 -0.858 . . . . 0.0 109.294 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.2 t -132.8 141.63 48.58 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.251 -0.905 . . . . 0.0 109.237 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.84 140.69 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.165 -0.959 . . . . 0.0 109.551 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.37 -3.11 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.288 -0.883 . . . . 0.0 109.439 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 . . . . . 0 CA--C 1.531 0.214 0 O-C-N 121.375 -0.828 . . . . 0.0 109.419 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.5 pttt . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 121.324 0.583 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.03 165.59 22.87 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.289 -0.882 . . . . 0.0 109.128 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.85 128.5 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 O-C-N 121.246 -0.908 . . . . 0.0 109.559 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -120.46 160.32 23.37 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.351 -0.843 . . . . 0.0 109.394 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 69.7 m -124.21 143.78 50.32 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.268 -0.895 . . . . 0.0 108.935 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -140.27 110.9 6.78 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.05 -1.031 . . . . 0.0 109.934 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -88.88 105.53 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.312 -0.868 . . . . 0.0 109.054 179.465 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -72.09 -18.54 61.91 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.272 -0.893 . . . . 0.0 110.029 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -54.57 168.03 0.53 Allowed Pre-proline 0 CA--C 1.533 0.315 0 O-C-N 121.114 -0.991 . . . . 0.0 109.543 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.408 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 11.6 Cg_endo -87.99 -41.59 0.05 OUTLIER 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 125.285 3.99 . . . . 0.0 110.155 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.408 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 1.3 t70 -80.5 17.87 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.221 -0.925 . . . . 0.0 109.015 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 78' ' ' CYS . 53.0 p -55.18 108.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.504 -0.747 . . . . 0.0 109.755 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -143.83 68.78 16.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 O-C-N 121.309 -0.87 . . . . 0.0 108.993 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -31.17 119.27 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.743 1 C-N-CA 126.324 4.682 . . . . 0.0 111.083 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 91' ' ' PHE . 25.0 mt -76.71 -19.91 57.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.595 ' CD2' HD11 ' A' ' 90' ' ' ILE . 96.6 m-85 -132.08 -106.65 0.26 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -113.5 23.42 13.19 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.012 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.89 41.61 1.8 Allowed Glycine 0 CA--C 1.531 1.069 0 C-N-CA 119.736 -1.221 . . . . 0.0 110.343 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.595 HD11 ' CD2' ' A' ' 87' ' ' PHE . 2.4 pt -111.82 -21.3 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 121.027 -1.278 . . . . 0.0 109.245 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.631 ' HB2' HD12 ' A' ' 86' ' ' LEU . 33.9 m-85 -137.0 63.79 1.56 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.327 -0.858 . . . . 0.0 109.558 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 18.7 m -61.8 118.87 7.75 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.319 -0.863 . . . . 0.0 109.39 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 O-C-N 121.199 -0.938 . . . . 0.0 109.375 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.526 ' HD1' ' N ' ' A' ' 5' ' ' HIS . 2.3 p-80 . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 121.059 0.457 . . . . 0.0 109.782 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 66.41 137.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.313 -0.867 . . . . 0.0 109.651 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 m -135.13 5.05 3.26 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.131 -0.981 . . . . 0.0 109.486 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.548 HG12 ' N ' ' A' ' 9' ' ' LYS . 14.2 t 57.29 -124.29 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 121.224 -0.923 . . . . 0.0 109.402 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.548 ' N ' HG12 ' A' ' 8' ' ' VAL . 1.8 ttpt -100.24 44.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.281 -0.887 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HB3' ' HZ2' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -114.95 120.32 39.51 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.242 -0.911 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -130.11 117.0 19.29 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.212 -0.93 . . . . 0.0 109.592 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -93.21 175.89 2.86 Favored Pre-proline 0 CA--C 1.533 0.293 0 O-C-N 121.335 -0.853 . . . . 0.0 109.231 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 12' ' ' CYS . 11.9 Cg_endo -88.05 172.37 5.33 Favored 'Trans proline' 0 N--CA 1.479 0.621 0 C-N-CA 125.283 3.988 . . . . 0.0 110.576 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -54.4 171.52 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.288 -0.882 . . . . 0.0 109.511 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.853 ' HA ' HD12 ' A' ' 31' ' ' LEU . 11.1 m-80 56.67 18.74 3.84 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.254 -0.903 . . . . 0.0 109.251 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.3 t -163.41 157.45 19.92 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.227 -0.921 . . . . 0.0 109.662 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.73 158.23 27.75 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 109.354 -1.499 . . . . 0.0 109.354 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 p -73.08 160.38 32.12 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.143 -1.21 . . . . 0.0 109.201 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.508 ' CE1' ' CD2' ' A' ' 21' ' ' HIS . 19.5 t80 -157.38 104.97 2.05 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.14 -0.975 . . . . 0.0 109.625 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -83.11 -115.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.371 -0.831 . . . . 0.0 109.114 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.508 ' CD2' ' CE1' ' A' ' 19' ' ' PHE . 20.4 m-70 59.59 -157.14 0.33 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.835 HD12 ' HB3' ' A' ' 25' ' ' ARG . 5.6 mt 60.12 15.33 5.1 Favored 'General case' 0 C--O 1.225 -0.216 0 O-C-N 121.159 -0.963 . . . . 0.0 109.179 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 76.4 -42.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -161.45 8.98 0.08 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.107 -0.996 . . . . 0.0 110.692 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.835 ' HB3' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -96.51 103.96 15.91 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 120.719 -1.238 . . . . 0.0 109.571 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -115.24 138.05 51.36 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.339 -0.851 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -163.64 164.87 23.86 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.239 -0.913 . . . . 0.0 109.471 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 m -95.0 107.56 19.61 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.254 -0.904 . . . . 0.0 109.33 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' HZ1' ' HA2' ' A' ' 55' ' ' GLY . 18.6 tttt -104.69 143.28 33.31 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.251 -0.906 . . . . 0.0 109.104 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.0 m -60.99 162.09 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.131 -0.981 . . . . 0.0 109.546 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 15' ' ' ASN . 44.8 mt -69.52 -167.61 0.14 Allowed 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.153 -0.967 . . . . 0.0 109.737 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HG ' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -71.64 156.07 39.8 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.358 -0.839 . . . . 0.0 109.422 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 57.89 17.09 4.04 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.413 -0.804 . . . . 0.0 109.42 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.42 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 17.2 m-85 -127.63 121.63 30.98 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.453 -0.779 . . . . 0.0 109.231 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.432 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -100.66 -177.67 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.273 -0.892 . . . . 0.0 109.131 179.62 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -126.94 129.55 48.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.402 -0.811 . . . . 0.0 109.449 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -146.63 97.28 2.89 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.258 -0.901 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.05 -99.8 2.41 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.76 4.03 2.09 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.258 -1.143 . . . . 0.0 109.415 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm -133.43 129.67 37.61 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.334 -0.854 . . . . 0.0 109.363 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -76.57 145.49 38.95 Favored 'General case' 0 C--N 1.33 -0.283 0 O-C-N 121.243 -0.911 . . . . 0.0 109.424 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.432 HG22 ' HG3' ' A' ' 35' ' ' LYS . 24.0 m -121.46 -179.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 121.273 -0.892 . . . . 0.0 109.397 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.21 137.25 42.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.199 -0.938 . . . . 0.0 109.344 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -124.58 67.37 48.9 Favored Pre-proline 0 C--N 1.331 -0.234 0 O-C-N 121.252 -0.905 . . . . 0.0 109.671 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -35.32 -32.75 0.09 OUTLIER 'Trans proline' 0 N--CA 1.482 0.833 1 C-N-CA 125.891 4.394 . . . . 0.0 110.37 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -120.59 95.98 48.95 Favored Pre-proline 0 CA--C 1.535 0.379 0 O-C-N 121.339 -0.85 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -84.83 174.95 7.12 Favored 'Trans proline' 0 N--CA 1.48 0.693 0 C-N-CA 125.013 3.809 . . . . 0.0 110.334 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.868 HG21 ' CG ' ' A' ' 51' ' ' GLU . 12.9 t -140.0 -159.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.19 -0.944 . . . . 0.0 109.963 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.447 ' N ' HG23 ' A' ' 48' ' ' THR . 38.5 m -145.35 -38.81 0.25 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -69.33 3.18 2.39 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.484 -0.76 . . . . 0.0 109.706 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.868 ' CG ' HG21 ' A' ' 48' ' ' THR . 79.3 mm-40 -105.45 60.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.149 -0.969 . . . . 0.0 108.943 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 40.07 72.15 0.16 Allowed 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.001 0.429 . . . . 0.0 110.873 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 22.2 t-20 58.69 80.98 0.17 Allowed 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.408 -0.808 . . . . 0.0 109.631 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.99 92.6 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 107.745 -2.142 . . . . 0.0 107.745 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.446 ' H ' ' H ' ' A' ' 56' ' ' CYS . . . -160.45 -4.74 0.05 OUTLIER Glycine 0 CA--C 1.523 0.545 0 N-CA-C 107.404 -2.279 . . . . 0.0 107.404 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.446 ' H ' ' H ' ' A' ' 55' ' ' GLY . 73.6 m -111.61 120.6 42.63 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.728 -0.866 . . . . 0.0 109.09 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.444 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -26.25 131.21 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.434 0.635 . . . . 0.0 111.877 -179.209 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.95 -30.26 58.48 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.298 -0.876 . . . . 0.0 109.256 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -89.39 -6.79 56.28 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.379 -0.826 . . . . 0.0 109.223 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.3 160.05 14.63 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.285 -0.884 . . . . 0.0 109.735 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.66 165.34 24.38 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.392 -0.817 . . . . 0.0 109.133 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.1 t -140.16 134.86 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.247 -0.908 . . . . 0.0 109.533 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p -124.34 139.17 54.16 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.19 -0.944 . . . . 0.0 109.493 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.18 17.79 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.352 -0.842 . . . . 0.0 109.652 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.451 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 35.6 mt-10 . . . . . 0 CA--C 1.531 0.214 0 O-C-N 121.342 -0.849 . . . . 0.0 109.706 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -119.71 114.18 21.78 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.178 -0.951 . . . . 0.0 109.534 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -101.59 141.41 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 121.335 -0.853 . . . . 0.0 109.154 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.04 156.72 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.093 -1.005 . . . . 0.0 109.726 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 m -123.49 143.04 50.42 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.386 -0.821 . . . . 0.0 109.224 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -146.39 96.82 2.84 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.166 -0.959 . . . . 0.0 109.458 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.6 m -73.31 128.88 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.31 -0.869 . . . . 0.0 109.455 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 79' ' ' THR . 14.1 t -93.14 36.17 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.317 -0.864 . . . . 0.0 109.348 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -111.21 168.29 7.81 Favored Pre-proline 0 CA--C 1.532 0.285 0 O-C-N 121.224 -0.922 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -85.91 -35.44 0.14 Allowed 'Trans proline' 0 N--CA 1.478 0.569 0 C-N-CA 125.085 3.857 . . . . 0.0 109.895 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -89.92 20.37 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.36 -0.837 . . . . 0.0 108.907 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.8 t -53.31 102.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.546 -0.722 . . . . 0.0 109.605 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -139.36 74.97 34.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 O-C-N 121.312 -0.868 . . . . 0.0 109.077 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -31.4 113.36 0.05 OUTLIER 'Trans proline' 0 N--CA 1.481 0.76 1 C-N-CA 126.071 4.514 . . . . 0.0 111.026 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.595 HD12 ' HB2' ' A' ' 91' ' ' PHE . 72.0 mt -68.32 -10.43 54.76 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -153.39 -109.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -104.2 19.64 19.79 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.618 -0.676 . . . . 0.0 110.053 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.25 21.29 7.4 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 119.484 -1.341 . . . . 0.0 110.349 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.782 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.4 pt -89.09 -29.57 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 O-C-N 121.043 -1.269 . . . . 0.0 109.004 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.782 ' CE2' HD12 ' A' ' 90' ' ' ILE . 13.2 m-85 -136.21 101.78 4.8 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.338 -0.851 . . . . 0.0 109.225 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.1 80.72 7.58 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.056 -1.028 . . . . 0.0 109.616 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.458 ' OG ' HD11 ' A' ' 86' ' ' LEU . 50.8 p . . . . . 0 C--N 1.329 -0.303 0 O-C-N 121.312 -0.867 . . . . 0.0 109.27 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.637 ' HB2' ' HE1' ' A' ' 21' ' ' HIS . 7.7 t-80 . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 121.257 0.551 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -140.76 54.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.309 -0.869 . . . . 0.0 109.364 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 p -57.87 155.48 10.41 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.156 -0.965 . . . . 0.0 109.356 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.731 HG12 ' H ' ' A' ' 9' ' ' LYS . 1.9 t -58.35 -175.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 O-C-N 121.292 -0.88 . . . . 0.0 109.676 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.731 ' H ' HG12 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -74.32 50.95 0.42 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.315 -0.866 . . . . 0.0 109.563 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -55.28 -37.98 68.02 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.291 -0.88 . . . . 0.0 109.306 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 55.88 90.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.285 -0.884 . . . . 0.0 109.459 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.75 172.93 5.82 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 121.153 -0.967 . . . . 0.0 109.013 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -87.66 169.54 6.78 Favored 'Trans proline' 0 N--CA 1.479 0.623 1 C-N-CA 125.381 4.054 . . . . 0.0 110.595 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.1 168.03 0.25 Allowed 'General case' 0 C--N 1.332 -0.158 0 O-C-N 121.328 -0.858 . . . . 0.0 109.425 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.899 ' HA ' HD12 ' A' ' 31' ' ' LEU . 31.8 m-20 55.34 30.02 14.06 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.213 -0.93 . . . . 0.0 109.128 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -164.96 123.85 1.76 Allowed 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.297 -0.877 . . . . 0.0 109.907 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -104.45 -160.75 24.17 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 109.224 -1.551 . . . . 0.0 109.224 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -122.2 141.49 51.41 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.121 -1.223 . . . . 0.0 109.661 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 4.4 t80 -150.02 145.32 26.34 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.509 ' HA ' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -155.82 80.09 1.01 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.341 -0.849 . . . . 0.0 108.766 -179.241 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.637 ' HE1' ' HB2' ' A' ' 5' ' ' HIS . 54.8 m80 -149.07 -32.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.051 -1.031 . . . . 0.0 110.64 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.0 mp -53.51 -22.91 8.98 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.249 -0.907 . . . . 0.0 110.128 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.37 19.37 1.54 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 60.43 16.22 6.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.0 45.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.509 ' CB ' ' HA ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -68.55 -130.1 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.753 -0.592 . . . . 0.0 110.169 -179.154 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -174.99 -168.26 0.33 Allowed 'General case' 0 C--O 1.233 0.187 0 O-C-N 120.666 -1.271 . . . . 0.0 109.671 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.6 m -69.65 132.12 45.67 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.515 -0.74 . . . . 0.0 109.351 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 138.78 54.4 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.213 -0.93 . . . . 0.0 108.798 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.8 m -54.49 159.18 2.17 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.045 -1.035 . . . . 0.0 109.521 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.899 HD12 ' HA ' ' A' ' 15' ' ' ASN . 34.6 mt -69.54 -167.36 0.13 Allowed 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.241 -0.912 . . . . 0.0 110.166 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 157.44 38.08 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 121.464 -0.773 . . . . 0.0 109.654 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 57.71 16.26 3.39 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.265 -0.897 . . . . 0.0 109.475 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.448 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 13.6 m-85 -127.57 115.92 19.55 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.394 -0.816 . . . . 0.0 109.792 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' H ' ' HG2' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -104.09 177.69 4.77 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.157 -0.965 . . . . 0.0 108.8 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -98.82 144.8 27.64 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.146 -0.971 . . . . 0.0 109.434 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -150.2 76.84 1.29 Allowed 'General case' 0 C--N 1.332 -0.182 0 O-C-N 121.168 -0.957 . . . . 0.0 109.613 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.31 -80.26 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.2 -10.53 0.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.212 -1.17 . . . . 0.0 109.572 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -118.9 130.51 55.77 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.257 -0.902 . . . . 0.0 109.173 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.6 m -73.03 125.79 28.47 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.057 -1.027 . . . . 0.0 109.493 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.453 HG22 ' HG3' ' A' ' 35' ' ' LYS . 2.5 m -101.96 -178.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 121.287 -0.883 . . . . 0.0 109.718 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -79.42 138.41 37.61 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.601 -0.687 . . . . 0.0 109.504 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -123.81 66.45 38.3 Favored Pre-proline 0 C--N 1.332 -0.189 0 O-C-N 121.198 -0.939 . . . . 0.0 109.589 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -34.61 -32.89 0.07 OUTLIER 'Trans proline' 0 N--CA 1.482 0.814 1 C-N-CA 126.005 4.47 . . . . 0.0 110.738 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.96 90.78 50.36 Favored Pre-proline 0 CA--C 1.533 0.317 0 O-C-N 121.252 -0.905 . . . . 0.0 109.739 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -91.47 158.54 3.64 Favored 'Trans proline' 0 N--CA 1.477 0.543 1 C-N-CA 125.393 4.062 . . . . 0.0 110.393 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.418 HG23 ' HG2' ' A' ' 51' ' ' GLU . 6.7 t -133.42 -164.33 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.17 -0.956 . . . . 0.0 109.573 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.404 ' N ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -123.86 -24.45 4.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.679 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -69.94 1.0 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HG2' HG23 ' A' ' 48' ' ' THR . 14.3 pt-20 -98.51 50.07 0.99 Allowed 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 42.41 72.34 0.18 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.384 0.611 . . . . 0.0 109.7 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.502 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.1 OUTLIER 64.52 91.09 0.08 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 122.837 1.303 . . . . 0.0 108.35 -179.197 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -105.23 38.35 3.34 Favored Glycine 0 CA--C 1.518 0.245 0 N-CA-C 107.624 -2.19 . . . . 0.0 107.624 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 133.12 -19.62 4.33 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 107.432 -2.267 . . . . 0.0 107.432 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.502 ' C ' HD22 ' A' ' 53' ' ' ASN . 56.6 m -112.5 128.42 56.33 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.459 -1.024 . . . . 0.0 108.7 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -45.9 140.21 3.78 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.309 0.576 . . . . 0.0 110.354 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.0 -32.52 47.03 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.618 -0.676 . . . . 0.0 109.264 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -16.05 36.03 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.318 -0.864 . . . . 0.0 109.198 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.19 162.34 18.38 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.265 -0.897 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -89.95 153.95 20.22 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.301 -0.874 . . . . 0.0 109.039 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 36.9 t -124.42 132.0 53.51 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.18 -0.95 . . . . 0.0 109.445 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -116.68 139.66 50.29 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.239 -0.913 . . . . 0.0 109.362 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.37 19.49 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.224 -0.923 . . . . 0.0 109.669 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 C--N 1.33 -0.252 0 O-C-N 121.376 -0.828 . . . . 0.0 109.661 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -112.27 130.86 55.79 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.293 -0.879 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.77 124.99 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 O-C-N 121.274 -0.892 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.68 163.6 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.23 -0.919 . . . . 0.0 109.525 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -135.97 114.31 11.62 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.219 -0.926 . . . . 0.0 109.452 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -112.04 98.77 7.57 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.216 -0.927 . . . . 0.0 109.224 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 34.6 m -59.77 153.47 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.21 -0.932 . . . . 0.0 109.702 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 t -104.75 10.22 34.7 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.349 -0.845 . . . . 0.0 109.111 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -71.06 154.55 94.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 O-C-N 121.318 -0.864 . . . . 0.0 108.99 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -37.35 -92.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.482 0.844 0 C-N-CA 125.275 3.984 . . . . 0.0 110.004 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -90.93 -2.93 57.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 120.759 -1.213 . . . . 0.0 107.776 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.401 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER 61.34 156.73 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.331 0.586 . . . . 0.0 109.673 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 83' ' ' SER . 67.0 m-85 -152.8 59.44 2.86 Favored Pre-proline 0 C--N 1.33 -0.273 0 O-C-N 120.863 -1.148 . . . . 0.0 109.757 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -36.85 110.94 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.761 1 C-N-CA 125.783 4.322 . . . . 0.0 110.482 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.78 HD12 ' CB ' ' A' ' 91' ' ' PHE . 22.9 mt -76.59 -6.54 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -153.7 -108.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -112.48 18.13 18.7 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.544 -0.723 . . . . 0.0 109.772 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.52 -18.08 8.8 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 119.638 -1.267 . . . . 0.0 110.206 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.406 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -55.14 -37.13 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 121.11 -1.23 . . . . 0.0 109.429 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.78 ' CB ' HD12 ' A' ' 86' ' ' LEU . 13.5 m-85 -130.84 123.77 29.8 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.134 -0.979 . . . . 0.0 109.089 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 94.56 4.87 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.147 -0.97 . . . . 0.0 109.469 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.608 ' O ' HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 O-C-N 121.266 -0.896 . . . . 0.0 109.422 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.404 ' CE1' HD21 ' A' ' 86' ' ' LEU . 28.8 p-80 . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.49 92.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.21 -0.931 . . . . 0.0 109.399 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 m -54.54 143.03 25.57 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.279 -0.888 . . . . 0.0 109.271 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.674 HG23 ' OE2' ' A' ' 26' ' ' GLU . 39.0 t -59.44 -74.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 121.133 -0.98 . . . . 0.0 109.499 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -138.31 54.26 1.78 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.163 -0.961 . . . . 0.0 109.692 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HZ2' ' HB2' ' A' ' 18' ' ' CYS . 1.7 mmmp? -91.78 147.32 23.07 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.194 -0.941 . . . . 0.0 109.234 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -144.42 69.44 1.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.133 -0.979 . . . . 0.0 109.721 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -69.28 173.69 3.61 Favored Pre-proline 0 CA--C 1.532 0.274 0 O-C-N 121.205 -0.934 . . . . 0.0 109.05 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -88.18 169.88 6.07 Favored 'Trans proline' 0 N--CA 1.478 0.571 1 C-N-CA 125.335 4.024 . . . . 0.0 110.619 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -53.97 173.25 0.07 Allowed 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.358 -0.839 . . . . 0.0 109.616 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.779 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER 54.88 31.42 15.74 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.322 -0.861 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.66 139.75 3.14 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.26 -0.9 . . . . 0.0 109.501 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.23 166.65 14.81 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.48 ' HB2' ' HZ2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -88.07 154.87 20.13 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.275 -1.132 . . . . 0.0 109.539 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.494 ' HE2' HD11 ' A' ' 22' ' ' LEU . 5.1 t80 -160.01 108.14 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.254 -0.904 . . . . 0.0 109.403 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.418 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 31.0 ttp85 -107.76 78.84 1.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.377 -0.827 . . . . 0.0 109.379 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.498 ' O ' HD12 ' A' ' 22' ' ' LEU . 85.9 m-70 -154.9 164.89 38.21 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.362 -0.836 . . . . 0.0 109.984 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 21' ' ' HIS . 0.6 OUTLIER 71.05 -40.94 0.49 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.77 -0.581 . . . . 0.0 110.443 179.504 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.5 p30 -109.55 7.63 24.75 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.053 -1.03 . . . . 0.0 109.543 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 55.21 21.14 3.81 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.276 -0.89 . . . . 0.0 109.127 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -143.39 151.26 40.2 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.347 -0.846 . . . . 0.0 109.26 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.674 ' OE2' HG23 ' A' ' 8' ' ' VAL . 12.5 mt-10 -78.2 141.32 38.72 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.276 -0.89 . . . . 0.0 109.716 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -139.05 162.81 34.02 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.371 -0.831 . . . . 0.0 109.208 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.6 m -109.72 95.42 5.59 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.136 -0.978 . . . . 0.0 109.64 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 8.6 tttt -87.15 168.81 12.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.464 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.3 m -90.14 166.46 13.38 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.857 -1.152 . . . . 0.0 109.22 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 15' ' ' ASN . 12.5 mt -74.98 -164.87 0.33 Allowed 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.151 -0.968 . . . . 0.0 110.169 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.18 153.64 42.33 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.262 -0.898 . . . . 0.0 109.728 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 56.95 18.65 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.298 -0.876 . . . . 0.0 109.348 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.42 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 18.9 m-85 -125.93 120.06 29.4 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.316 -0.865 . . . . 0.0 109.245 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.459 ' H ' ' HG2' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -104.06 -178.9 3.79 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.179 -0.951 . . . . 0.0 108.997 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -112.49 126.27 55.14 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.369 -0.832 . . . . 0.0 109.287 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.22 130.91 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.191 -0.943 . . . . 0.0 109.501 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.18 -101.84 0.6 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.77 4.16 3.03 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.213 -1.169 . . . . 0.0 109.411 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -135.82 147.57 48.34 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.236 -0.915 . . . . 0.0 109.171 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 77.6 m -79.12 143.1 35.82 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.137 -0.977 . . . . 0.0 109.368 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.457 HG22 ' HG3' ' A' ' 35' ' ' LYS . 3.2 m -121.32 -179.32 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 O-C-N 121.207 -0.933 . . . . 0.0 109.596 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.14 138.44 40.73 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.538 -0.726 . . . . 0.0 109.39 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -130.39 67.07 79.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 O-C-N 121.269 -0.894 . . . . 0.0 109.67 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -35.88 -32.04 0.09 OUTLIER 'Trans proline' 0 N--CA 1.483 0.866 1 C-N-CA 125.848 4.366 . . . . 0.0 110.359 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.97 95.85 49.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 O-C-N 121.279 -0.888 . . . . 0.0 109.474 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -84.19 179.02 4.84 Favored 'Trans proline' 0 N--CA 1.481 0.765 0 C-N-CA 124.938 3.759 . . . . 0.0 110.261 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.843 HG21 ' CG ' ' A' ' 51' ' ' GLU . 15.4 t -149.49 -160.73 1.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.272 -0.892 . . . . 0.0 109.815 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 m -141.57 -38.79 0.39 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.431 -0.793 . . . . 0.0 108.92 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -69.12 3.83 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.545 -0.722 . . . . 0.0 109.647 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.843 ' CG ' HG21 ' A' ' 48' ' ' THR . 71.0 mm-40 -108.19 59.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.203 -0.935 . . . . 0.0 108.913 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 40.02 73.89 0.11 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.009 0.433 . . . . 0.0 111.014 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 17.9 t-20 58.95 82.51 0.14 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.454 -0.779 . . . . 0.0 109.394 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.7 -37.55 76.69 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 107.651 -2.18 . . . . 0.0 107.651 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.62 ' O ' HG22 ' A' ' 90' ' ' ILE . . . -157.18 -4.38 0.08 OUTLIER Glycine 0 CA--C 1.522 0.51 0 N-CA-C 107.284 -2.326 . . . . 0.0 107.284 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASP . 60.7 m -111.83 124.73 52.97 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.656 -0.908 . . . . 0.0 109.171 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 19.1 t0 -32.7 135.65 0.09 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.497 0.665 . . . . 0.0 111.516 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.12 -23.72 8.74 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.55 -0.719 . . . . 0.0 109.338 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -97.98 -15.64 20.01 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.397 -0.814 . . . . 0.0 109.302 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -85.34 162.33 19.12 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.169 -0.957 . . . . 0.0 109.684 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -83.38 164.53 19.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.372 -0.83 . . . . 0.0 109.122 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.5 t -135.83 133.26 37.63 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.224 -0.922 . . . . 0.0 109.694 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -122.49 138.7 54.47 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.249 -0.907 . . . . 0.0 109.276 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.58 19.33 2.53 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.418 -0.801 . . . . 0.0 109.623 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 . . . . . 0 C--N 1.331 -0.224 0 O-C-N 121.457 -0.777 . . . . 0.0 109.701 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.13 130.27 55.68 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.302 -0.874 . . . . 0.0 109.461 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.7 mm -111.63 111.18 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 121.3 -0.875 . . . . 0.0 109.384 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.27 137.91 48.41 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.196 -0.94 . . . . 0.0 109.374 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.0 m -104.45 155.86 18.44 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.217 -0.927 . . . . 0.0 109.414 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -156.69 101.15 1.97 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.288 -0.882 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.3 m -60.24 97.19 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.185 -0.947 . . . . 0.0 108.758 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 79' ' ' THR . 12.8 t -73.54 46.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.264 -0.897 . . . . 0.0 110.049 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -138.76 167.79 18.13 Favored Pre-proline 0 C--N 1.329 -0.321 0 O-C-N 121.102 -0.999 . . . . 0.0 109.446 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 16.5 Cg_endo -89.29 -45.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.571 1 C-N-CA 125.344 4.029 . . . . 0.0 110.037 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.436 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . 50.5 m-20 -82.82 25.71 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.379 -0.825 . . . . 0.0 109.147 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.45 113.07 25.22 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.521 -0.737 . . . . 0.0 109.356 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.451 ' H ' ' H ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -120.93 77.19 30.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 O-C-N 121.2 -0.937 . . . . 0.0 109.572 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -32.58 110.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.482 0.822 1 C-N-CA 125.824 4.349 . . . . 0.0 110.878 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.404 HD21 ' CE1' ' A' ' 5' ' ' HIS . 31.0 mt -71.6 -33.12 68.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -117.26 -106.27 0.39 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.94 17.56 20.38 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.802 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.04 1.77 22.26 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 119.679 -1.248 . . . . 0.0 110.398 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.854 HD12 ' CE2' ' A' ' 91' ' ' PHE . 3.0 pt -68.51 -26.24 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 120.894 -1.357 . . . . 0.0 109.253 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.854 ' CE2' HD12 ' A' ' 90' ' ' ILE . 29.4 m-85 -140.4 96.26 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.245 -0.909 . . . . 0.0 109.751 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.69 133.68 47.32 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.206 -0.934 . . . . 0.0 108.906 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.451 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 O-C-N 121.349 -0.844 . . . . 0.0 109.511 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -28.56 46.13 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.48 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.98 107.01 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.21 -0.931 . . . . 0.0 109.343 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 m -66.25 -174.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.26 -0.9 . . . . 0.0 109.653 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 68.42 1.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.31 -0.869 . . . . 0.0 109.308 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -159.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.255 -0.903 . . . . 0.0 109.671 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -101.13 152.49 20.57 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.365 -0.835 . . . . 0.0 109.367 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 12.3 t -165.0 139.0 4.01 Favored Pre-proline 0 CA--C 1.538 0.506 0 O-C-N 121.296 -0.877 . . . . 0.0 108.955 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 24.2 Cg_endo -87.77 -177.92 2.12 Favored 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 124.552 3.502 . . . . 0.0 110.655 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -73.4 176.17 6.28 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.386 -0.821 . . . . 0.0 109.253 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.884 ' HA ' HD12 ' A' ' 31' ' ' LEU . 3.8 m120 57.13 21.15 6.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.137 -0.977 . . . . 0.0 108.713 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.78 140.57 18.13 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.314 -0.866 . . . . 0.0 109.626 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.06 -129.43 5.08 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.528 ' HA ' ' H ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -167.81 144.55 4.19 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 120.945 -1.327 . . . . 0.0 110.011 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CG ' ' N ' ' A' ' 20' ' ' ARG . 42.3 t80 -156.82 -177.75 6.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -129.99 102.94 6.49 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.189 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.578 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -49.34 162.64 0.13 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.478 0.656 . . . . 0.0 109.519 -178.132 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.038 HD21 ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -62.44 -8.08 5.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.701 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -81.07 9.68 6.32 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 74.73 30.74 0.98 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER 175.09 128.72 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.946 -1.096 . . . . 0.0 110.488 179.353 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.578 ' CB ' ' H ' ' A' ' 21' ' ' HIS . 1.9 tp10 -139.78 -36.42 0.51 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.034 -1.041 . . . . 0.0 108.833 178.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 71.58 -167.61 0.14 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.965 0.888 . . . . 0.0 110.803 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -52.43 107.88 0.25 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.571 0.7 . . . . 0.0 109.756 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.528 ' H ' ' HA ' ' A' ' 18' ' ' CYS . 1.7 tmtt? -97.29 -179.38 4.48 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.451 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 46.0 m -92.05 172.66 8.29 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.037 -1.039 . . . . 0.0 109.449 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 15' ' ' ASN . 12.7 mt -91.01 -167.82 1.91 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.291 -0.881 . . . . 0.0 109.675 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.452 ' HG ' HG23 ' A' ' 90' ' ' ILE . 1.1 mt -69.03 148.6 49.85 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.282 -0.886 . . . . 0.0 109.265 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 58.82 16.14 4.3 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.224 -0.922 . . . . 0.0 109.557 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.447 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 14.4 m-85 -124.21 114.07 19.14 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.275 -0.891 . . . . 0.0 109.527 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HG3' HG23 ' A' ' 42' ' ' VAL . 3.4 ptmt -98.16 -170.95 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.288 -0.883 . . . . 0.0 109.151 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.76 155.45 19.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.566 -0.709 . . . . 0.0 109.498 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.486 ' OE1' HG11 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -166.2 71.74 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.273 -0.892 . . . . 0.0 109.42 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.77 -104.4 2.91 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -125.43 5.03 7.65 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.321 -1.105 . . . . 0.0 109.417 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.24 135.96 37.68 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.254 -0.904 . . . . 0.0 109.325 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.8 m -73.47 141.42 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.145 -0.972 . . . . 0.0 109.435 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.507 HG23 ' HG3' ' A' ' 35' ' ' LYS . 32.0 m -113.07 178.17 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 O-C-N 121.226 -0.921 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.33 124.72 27.96 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.152 -0.967 . . . . 0.0 109.45 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.416 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.9 t-20 -84.93 114.15 54.06 Favored Pre-proline 0 CA--C 1.536 0.406 0 O-C-N 121.289 -0.882 . . . . 0.0 109.396 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 12.7 Cg_endo -89.45 -15.61 2.27 Favored 'Trans proline' 0 N--CA 1.478 0.585 0 C-N-CA 124.83 3.687 . . . . 0.0 110.236 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -144.02 76.38 15.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 121.226 -0.921 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -90.96 131.93 1.53 Allowed 'Trans proline' 0 N--CA 1.477 0.505 1 C-N-CA 125.628 4.219 . . . . 0.0 110.359 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 49' ' ' CYS . 9.8 t -130.51 -129.5 0.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.19 -0.943 . . . . 0.0 109.738 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.617 ' N ' HG23 ' A' ' 48' ' ' THR . 3.9 m -140.59 -36.71 0.47 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -70.15 1.49 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.594 ' HG3' HG22 ' A' ' 48' ' ' THR . 28.6 mm-40 -97.37 52.6 1.12 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 41.71 71.58 0.2 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.265 0.555 . . . . 0.0 109.637 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.516 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.1 OUTLIER 65.5 92.46 0.07 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 122.867 1.318 . . . . 0.0 108.411 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.93 36.47 3.95 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 107.776 -2.13 . . . . 0.0 107.776 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.94 -12.47 6.49 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 107.964 -2.054 . . . . 0.0 107.964 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.516 ' C ' HD22 ' A' ' 53' ' ' ASN . 76.0 m -111.62 132.72 54.37 Favored 'General case' 0 N--CA 1.462 0.164 0 O-C-N 121.411 -1.052 . . . . 0.0 108.629 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 92' ' ' CYS . 25.1 t0 -46.27 142.48 2.89 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.36 0.6 . . . . 0.0 110.349 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.038 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -51.86 -29.84 21.32 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.716 -0.615 . . . . 0.0 109.756 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -96.77 -7.12 34.57 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.2 -0.937 . . . . 0.0 109.527 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . . . -91.94 157.34 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.14 -0.975 . . . . 0.0 109.717 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -78.0 161.5 27.44 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.299 -0.875 . . . . 0.0 108.886 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.0 t -135.4 144.87 46.8 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.117 -0.989 . . . . 0.0 109.808 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.49 143.53 30.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.298 -0.876 . . . . 0.0 109.157 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.35 15.34 4.55 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.292 -0.88 . . . . 0.0 109.338 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 69.2 mt-10 . . . . . 0 C--N 1.329 -0.306 0 O-C-N 121.402 -0.811 . . . . 0.0 109.664 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 121.332 0.587 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? 65.62 123.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 74' ' ' ILE . 16.8 mm -137.28 109.18 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 121.03 -1.044 . . . . 0.0 109.809 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.58 159.48 20.64 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.203 -0.936 . . . . 0.0 108.724 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.8 m -136.49 139.13 42.08 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.064 -1.023 . . . . 0.0 109.44 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.75 88.77 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.315 -0.865 . . . . 0.0 109.234 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.6 m -72.74 94.82 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.228 -0.92 . . . . 0.0 109.67 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 79' ' ' THR . 7.7 t -111.97 35.17 3.83 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.334 -0.854 . . . . 0.0 108.986 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.402 ' HG3' ' CD ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -103.94 144.62 29.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 O-C-N 121.407 -0.808 . . . . 0.0 109.35 -179.796 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.402 ' CD ' ' HG3' ' A' ' 80' ' ' LYS . 5.5 Cg_exo -46.32 131.27 14.8 Favored 'Trans proline' 0 N--CA 1.475 0.39 0 C-N-CA 123.687 2.925 . . . . 0.0 108.654 178.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.74 -17.8 0.33 Allowed 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.555 -0.716 . . . . 0.0 111.02 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.6 p -58.68 106.22 0.38 Allowed 'General case' 0 CA--C 1.532 0.272 0 O-C-N 120.395 -1.441 . . . . 0.0 109.112 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -129.03 92.02 40.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 O-C-N 121.18 -0.95 . . . . 0.0 109.247 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -32.73 111.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.482 0.832 1 C-N-CA 125.547 4.165 . . . . 0.0 111.487 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 86' ' ' LEU . 68.0 mt -80.49 -37.74 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 178.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.851 ' CE2' HD21 ' A' ' 31' ' ' LEU . 6.6 m-85 -106.18 -105.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.02 22.86 9.47 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.772 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.4 -19.4 7.16 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 119.58 -1.295 . . . . 0.0 110.53 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.765 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.7 pt -63.45 -28.76 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 120.997 -1.296 . . . . 0.0 109.788 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.765 ' CE2' HD12 ' A' ' 90' ' ' ILE . 9.2 m-85 -132.69 105.61 7.28 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.031 -1.043 . . . . 0.0 109.592 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.425 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 64.3 m -125.65 89.6 3.06 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.207 -0.933 . . . . 0.0 109.392 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.2 m . . . . . 0 C--N 1.328 -0.332 0 O-C-N 121.252 -0.905 . . . . 0.0 109.366 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.406 0 CA-C-O 121.132 0.491 . . . . 0.0 110.022 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -62.2 104.18 0.46 Allowed 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.939 -1.101 . . . . 0.0 109.367 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.492 ' C ' HG12 ' A' ' 8' ' ' VAL . 57.8 m -89.39 -107.58 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.352 -0.843 . . . . 0.0 109.389 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.492 HG12 ' C ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER 178.83 -45.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 O-C-N 121.248 -0.907 . . . . 0.0 109.447 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.27 58.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.281 -0.887 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' NZ ' ' CG ' ' A' ' 26' ' ' GLU . 17.0 mtpp -101.63 129.69 47.8 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.262 -0.899 . . . . 0.0 109.549 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.51 64.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.347 -0.846 . . . . 0.0 109.162 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 m -61.41 173.35 0.78 Allowed Pre-proline 0 C--N 1.33 -0.26 0 O-C-N 121.161 -0.962 . . . . 0.0 108.91 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -86.92 162.98 8.94 Favored 'Trans proline' 0 N--CA 1.478 0.597 1 C-N-CA 125.337 4.025 . . . . 0.0 110.324 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.1 172.25 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.288 -0.883 . . . . 0.0 109.443 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.662 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.9 OUTLIER 56.3 22.57 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.245 -0.91 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -162.4 128.23 3.45 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.259 -0.9 . . . . 0.0 109.772 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.18 -161.27 20.65 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.98 148.44 43.54 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.087 -1.243 . . . . 0.0 109.737 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.493 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 32.8 t80 -154.87 139.34 16.83 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.281 -0.887 . . . . 0.0 109.462 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -90.8 118.8 30.5 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.298 -0.876 . . . . 0.0 109.303 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 21' ' ' HIS . 20.4 m170 -54.28 145.46 17.67 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.28 -0.887 . . . . 0.0 109.497 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 22' ' ' LEU . 7.2 mp -67.15 -0.86 3.67 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.36 -0.837 . . . . 0.0 109.62 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -105.57 40.94 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.208 -0.933 . . . . 0.0 109.461 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 63.02 2.76 1.09 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.478 -0.764 . . . . 0.0 110.238 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -94.31 177.57 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 120.923 -1.11 . . . . 0.0 108.963 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.403 ' CG ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -163.12 150.4 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.23 -0.919 . . . . 0.0 109.375 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -173.95 -178.76 1.58 Allowed 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.246 -0.909 . . . . 0.0 109.636 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.3 m -96.38 127.55 42.48 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.327 -0.858 . . . . 0.0 109.778 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -113.73 156.57 23.56 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 1.1 m -77.32 160.36 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.825 -1.172 . . . . 0.0 109.609 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 15' ' ' ASN . 76.0 mt -77.73 -165.37 0.62 Allowed 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.291 -0.88 . . . . 0.0 109.714 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' CD1' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -70.48 158.37 36.18 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.392 -0.817 . . . . 0.0 109.392 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 m120 59.49 15.99 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.285 -0.884 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 17.4 m-85 -132.1 120.55 22.48 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.355 -0.841 . . . . 0.0 109.412 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 -172.81 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.187 -0.945 . . . . 0.0 109.45 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -106.69 156.87 18.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.648 -0.658 . . . . 0.0 109.35 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.05 100.09 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.205 -0.935 . . . . 0.0 109.564 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.77 -89.04 1.34 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.57 -3.85 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.239 -1.154 . . . . 0.0 109.488 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.86 147.94 50.02 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.22 -0.925 . . . . 0.0 109.243 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.1 m -81.18 142.51 33.14 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.138 -0.976 . . . . 0.0 109.316 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.9 m -117.17 179.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 O-C-N 121.245 -0.91 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.98 139.71 34.4 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.374 -0.829 . . . . 0.0 109.436 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 4.0 t-20 -116.42 128.46 25.98 Favored Pre-proline 0 CA--C 1.537 0.455 0 O-C-N 121.2 -0.938 . . . . 0.0 109.581 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 19.3 Cg_endo -91.65 -16.24 1.27 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 124.856 3.704 . . . . 0.0 109.983 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.53 89.44 6.82 Favored Pre-proline 0 CA--C 1.532 0.278 0 O-C-N 121.382 -0.824 . . . . 0.0 109.194 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -88.31 137.36 3.64 Favored 'Trans proline' 0 N--CA 1.48 0.685 0 C-N-CA 125.28 3.987 . . . . 0.0 110.598 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.581 HG23 ' HG2' ' A' ' 51' ' ' GLU . 10.1 t -124.81 -168.56 1.84 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.277 -0.89 . . . . 0.0 109.272 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.95 -27.55 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.221 -0.925 . . . . 0.0 109.003 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.64 -1.8 5.78 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.24 -0.913 . . . . 0.0 108.685 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.581 ' HG2' HG23 ' A' ' 48' ' ' THR . 7.4 pt-20 -94.13 50.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.82 70.87 0.24 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.169 0.509 . . . . 0.0 110.654 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 11.0 t-20 59.64 78.64 0.26 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.794 0.807 . . . . 0.0 109.191 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.37 -49.38 61.34 Favored Glycine 0 CA--C 1.519 0.326 0 N-CA-C 107.832 -2.107 . . . . 0.0 107.832 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.508 ' HA2' HG22 ' A' ' 90' ' ' ILE . . . -144.89 0.47 1.0 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 107.583 -2.207 . . . . 0.0 107.583 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASP . 58.3 m -111.31 114.49 27.71 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.601 -0.941 . . . . 0.0 109.107 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.44 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 5.9 t0 -30.15 138.48 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.308 0.575 . . . . 0.0 111.691 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.19 -33.22 57.63 Favored 'General case' 0 C--N 1.333 -0.152 0 O-C-N 121.439 -0.788 . . . . 0.0 109.181 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.3 -10.79 48.35 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.316 -0.865 . . . . 0.0 108.974 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.85 163.78 16.24 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.334 -0.854 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 144.36 26.36 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.366 -0.834 . . . . 0.0 109.21 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.6 t -115.14 142.03 47.21 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.158 -0.964 . . . . 0.0 109.45 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.73 141.51 47.56 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.211 -0.931 . . . . 0.0 109.504 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.86 7.6 4.06 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.292 -0.88 . . . . 0.0 109.47 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 . . . . . 0 CA--C 1.531 0.241 0 O-C-N 121.277 -0.889 . . . . 0.0 109.579 -179.915 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -97.44 106.25 18.53 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.284 -0.885 . . . . 0.0 109.444 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.01 129.43 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.262 -0.899 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.3 151.71 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.222 -0.924 . . . . 0.0 109.406 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.77 142.05 51.46 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.285 -0.884 . . . . 0.0 109.609 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -140.68 106.56 5.16 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.35 -0.844 . . . . 0.0 109.19 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.5 m -71.55 145.25 49.21 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.348 -0.845 . . . . 0.0 109.617 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -120.69 31.58 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.326 -0.859 . . . . 0.0 109.304 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -105.02 169.53 7.01 Favored Pre-proline 0 C--N 1.33 -0.281 0 O-C-N 121.339 -0.851 . . . . 0.0 109.375 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -90.56 135.94 2.16 Favored 'Trans proline' 0 N--CA 1.477 0.554 1 C-N-CA 125.417 4.078 . . . . 0.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.17 6.34 3.5 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.244 -0.91 . . . . 0.0 109.552 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.43 127.92 47.87 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.278 -0.889 . . . . 0.0 109.473 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.502 ' H ' ' N ' ' A' ' 93' ' ' SER . 33.2 m-85 -144.59 139.51 15.58 Favored Pre-proline 0 CA--C 1.533 0.308 0 O-C-N 121.298 -0.876 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -35.28 138.55 0.13 Allowed 'Trans proline' 0 N--CA 1.483 0.871 1 C-N-CA 125.516 4.144 . . . . 0.0 110.603 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.682 HD12 ' HB2' ' A' ' 91' ' ' PHE . 66.0 mt -103.44 -58.87 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.218 -0.926 . . . . 0.0 109.545 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.567 ' CD2' HD11 ' A' ' 90' ' ' ILE . 87.3 m-85 -97.79 -13.63 21.24 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.172 -0.955 . . . . 0.0 109.533 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.6 -45.74 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.458 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . -179.87 -0.42 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.582 HD12 ' CE2' ' A' ' 91' ' ' PHE . 13.9 pt -68.55 -36.48 74.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 121.273 -1.134 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.682 ' HB2' HD12 ' A' ' 86' ' ' LEU . 11.1 m-85 -131.0 143.7 50.92 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.281 -0.887 . . . . 0.0 109.315 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.75 119.04 34.22 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.502 ' N ' ' H ' ' A' ' 84' ' ' TYR . 7.2 t . . . . . 0 C--N 1.33 -0.257 0 O-C-N 121.228 -0.92 . . . . 0.0 109.44 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.794 ' NE2' HD21 ' A' ' 86' ' ' LEU . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.216 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -96.98 31.6 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.237 -0.915 . . . . 0.0 109.433 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p 35.1 -151.52 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.187 0.517 . . . . 0.0 111.378 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 t -139.76 -93.82 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 O-C-N 121.096 -1.002 . . . . 0.0 109.513 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -114.23 74.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.144 -0.972 . . . . 0.0 109.338 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HZ3' ' HB2' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -91.59 162.75 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.293 -0.88 . . . . 0.0 109.676 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.19 9.02 37.81 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.343 -0.848 . . . . 0.0 109.283 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 10.5 t -54.51 139.91 57.85 Favored Pre-proline 0 CA--C 1.538 0.485 0 O-C-N 121.322 -0.861 . . . . 0.0 109.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 29.4 Cg_endo -90.19 177.65 2.37 Favored 'Trans proline' 0 N--CA 1.48 0.717 0 C-N-CA 124.67 3.58 . . . . 0.0 110.881 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -62.98 175.97 0.78 Allowed 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.372 -0.83 . . . . 0.0 109.178 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.673 ' HA ' HD12 ' A' ' 31' ' ' LEU . 6.2 m-20 55.31 22.08 4.58 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 121.243 -0.911 . . . . 0.0 108.828 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.3 t -158.55 123.92 4.37 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.46 -0.775 . . . . 0.0 109.14 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.74 167.09 17.13 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -97.56 163.23 12.93 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.116 -1.226 . . . . 0.0 109.712 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -152.69 100.87 2.58 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.278 -0.889 . . . . 0.0 109.535 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 4.0 ttt180 -99.25 79.0 2.27 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.183 -0.948 . . . . 0.0 109.129 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.455 ' O ' HD12 ' A' ' 22' ' ' LEU . 91.7 m-70 -154.36 139.39 17.35 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.255 -0.903 . . . . 0.0 110.099 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 21' ' ' HIS . 0.7 OUTLIER 67.58 0.74 2.31 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.648 -0.658 . . . . 0.0 110.156 179.116 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -129.64 -3.31 4.77 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.04 -1.037 . . . . 0.0 109.343 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 54.51 22.74 4.08 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.353 -0.842 . . . . 0.0 108.849 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.07 154.09 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.564 -0.71 . . . . 0.0 109.099 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.21 122.4 28.35 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.245 -0.909 . . . . 0.0 110.034 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.53 166.72 10.21 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HB2' ' HZ3' ' A' ' 10' ' ' LYS . 4.2 t -123.12 97.61 5.5 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.086 -1.009 . . . . 0.0 109.45 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -104.79 141.85 35.76 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.385 -0.822 . . . . 0.0 109.059 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 2.8 m -63.5 154.88 31.02 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.146 -0.972 . . . . 0.0 109.818 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 15' ' ' ASN . 49.9 mt -69.51 -167.45 0.13 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.3 -0.875 . . . . 0.0 109.546 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.472 ' HG ' HG21 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -73.61 157.14 37.2 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 121.271 -0.893 . . . . 0.0 109.388 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 60.1 14.32 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.291 -0.88 . . . . 0.0 109.358 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.43 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 12.5 m-85 -126.17 116.38 21.24 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.375 -0.828 . . . . 0.0 109.213 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -101.02 -179.35 4.02 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.168 -0.958 . . . . 0.0 109.397 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -104.05 142.3 34.7 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.385 -0.822 . . . . 0.0 109.46 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -157.83 87.19 0.93 Allowed 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.25 -0.906 . . . . 0.0 109.525 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.63 -105.96 3.36 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.45 5.04 5.66 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.177 -1.19 . . . . 0.0 109.426 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -138.89 130.44 27.35 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.235 -0.916 . . . . 0.0 109.217 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.1 m -71.09 136.27 48.15 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.301 -0.875 . . . . 0.0 109.587 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.463 HG22 ' HG3' ' A' ' 35' ' ' LYS . 3.0 m -108.33 -179.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 O-C-N 121.253 -0.905 . . . . 0.0 109.858 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.95 127.27 32.39 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.549 -0.72 . . . . 0.0 109.33 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.452 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 65.6 t30 -110.88 123.63 34.96 Favored Pre-proline 0 CA--C 1.535 0.401 0 O-C-N 121.274 -0.891 . . . . 0.0 109.372 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.6 Cg_endo -90.75 -15.6 1.69 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 124.735 3.623 . . . . 0.0 110.303 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -132.97 85.14 46.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.278 -0.889 . . . . 0.0 109.723 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -91.44 167.02 3.46 Favored 'Trans proline' 0 N--CA 1.476 0.486 1 C-N-CA 125.624 4.216 . . . . 0.0 109.904 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.85 HG23 ' HG2' ' A' ' 51' ' ' GLU . 5.5 t -152.7 179.5 8.57 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.117 -0.99 . . . . 0.0 109.883 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 m -111.5 -29.51 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -57.95 -17.99 20.54 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.402 -0.811 . . . . 0.0 108.826 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.85 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.5 pt-20 -74.0 66.63 1.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 4.1 p-10 42.13 53.01 4.41 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.074 0.464 . . . . 0.0 111.301 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.53 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.3 OUTLIER 62.61 65.84 0.81 Allowed 'General case' 0 N--CA 1.462 0.169 0 O-C-N 120.923 -1.11 . . . . 0.0 108.874 179.176 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.38 -51.11 5.08 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.79 -19.76 78.67 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.53 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.65 154.76 24.44 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.0 -1.294 . . . . 0.0 110.417 -179.718 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.29 -94.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.373 -0.83 . . . . 0.0 109.823 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -154.15 -15.35 0.13 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.334 -0.854 . . . . 0.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.74 -17.6 6.82 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.292 -0.88 . . . . 0.0 109.484 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.99 178.78 2.55 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.272 -0.892 . . . . 0.0 109.427 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.67 124.62 49.19 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.273 -0.892 . . . . 0.0 109.592 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.92 157.91 15.89 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.423 -0.798 . . . . 0.0 109.389 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.55 151.63 24.53 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.11 -0.994 . . . . 0.0 109.554 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -144.95 -4.36 0.74 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.169 -0.957 . . . . 0.0 109.559 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--N 1.329 -0.283 0 O-C-N 121.239 -0.913 . . . . 0.0 109.508 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -153.34 163.69 39.47 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.238 -0.914 . . . . 0.0 109.377 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mm -130.33 154.02 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 121.289 -0.882 . . . . 0.0 109.481 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.54 151.63 51.86 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.255 -0.903 . . . . 0.0 109.512 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.1 m -154.21 145.83 23.25 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.239 -0.913 . . . . 0.0 109.22 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -151.11 118.75 6.1 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.232 -0.917 . . . . 0.0 109.75 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 91.62 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -81.84 -10.89 59.19 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.319 -0.863 . . . . 0.0 110.077 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 174.31 0.21 Allowed Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.206 -0.934 . . . . 0.0 109.446 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -88.83 -52.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.478 0.569 1 C-N-CA 125.453 4.102 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -79.68 14.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.355 -0.841 . . . . 0.0 108.97 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 p -79.82 126.73 31.36 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.502 -0.749 . . . . 0.0 109.453 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -142.42 75.1 19.67 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.348 -0.845 . . . . 0.0 109.332 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -30.6 144.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.484 0.94 1 C-N-CA 126.14 4.56 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.794 HD21 ' NE2' ' A' ' 5' ' ' HIS . 53.6 mt -114.84 -53.87 2.61 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.252 -0.905 . . . . 0.0 109.71 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.402 ' O ' ' CB ' ' A' ' 88' ' ' ASP . 59.5 m-85 -102.78 -11.7 18.14 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.223 -0.923 . . . . 0.0 109.579 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER 166.0 -39.64 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.418 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . 164.07 11.11 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.677 HD12 ' CE2' ' A' ' 91' ' ' PHE . 3.2 pt -88.72 5.02 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 O-C-N 121.201 -1.176 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.677 ' CE2' HD12 ' A' ' 90' ' ' ILE . 75.8 m-85 -151.87 49.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.312 -0.868 . . . . 0.0 109.522 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.4 121.8 25.61 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.144 -0.973 . . . . 0.0 109.471 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 O-C-N 121.207 -0.933 . . . . 0.0 109.56 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 58.79 -94.24 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.311 -0.868 . . . . 0.0 109.463 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 62.37 113.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 109.819 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.826 HG22 ' H ' ' A' ' 9' ' ' LYS . 2.5 p -160.47 -172.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 O-C-N 121.071 -1.018 . . . . 0.0 109.427 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.826 ' H ' HG22 ' A' ' 8' ' ' VAL . 10.3 tttm 56.94 20.8 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.253 -0.904 . . . . 0.0 109.423 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HZ2' ' HB3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -165.07 169.24 16.49 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.312 -0.868 . . . . 0.0 109.425 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -127.23 -179.58 4.95 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.271 -0.893 . . . . 0.0 109.578 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 49.4 t -151.88 138.04 11.56 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 7.4 Cg_endo -77.4 -173.92 1.99 Allowed 'Trans proline' 0 N--CA 1.485 0.988 0 C-N-CA 124.098 3.199 . . . . 0.0 110.789 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -77.76 173.28 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.707 ' HA ' HD12 ' A' ' 31' ' ' LEU . 56.3 m-20 55.35 24.7 6.81 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 121.163 -0.961 . . . . 0.0 108.549 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.6 p -160.32 133.43 6.68 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.585 -0.697 . . . . 0.0 109.202 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.27 167.53 12.71 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.53 162.87 17.82 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.099 -1.236 . . . . 0.0 109.862 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -169.42 119.8 0.68 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.37 -0.831 . . . . 0.0 109.219 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttt-85 -74.25 120.86 20.4 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.235 -0.916 . . . . 0.0 109.159 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -54.64 142.11 29.42 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.211 -0.931 . . . . 0.0 109.361 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.662 ' H ' HD12 ' A' ' 22' ' ' LEU . 6.3 mp -66.9 -1.79 4.43 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.353 -0.842 . . . . 0.0 109.489 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.36 30.72 4.75 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.277 -0.889 . . . . 0.0 109.348 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.48 -12.06 0.86 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.193 0.52 . . . . 0.0 109.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -75.93 174.57 9.78 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.054 -1.029 . . . . 0.0 109.477 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HB3' ' HZ2' ' A' ' 10' ' ' LYS . 28.6 mt-10 -140.1 132.58 28.58 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.227 -0.921 . . . . 0.0 109.53 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -159.85 162.67 34.72 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.269 -0.895 . . . . 0.0 109.401 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.43 126.42 55.32 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.255 -0.903 . . . . 0.0 109.004 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -99.44 174.65 6.17 Favored 'General case' 0 C--O 1.225 -0.199 0 O-C-N 121.321 -0.862 . . . . 0.0 109.238 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.82 170.0 17.27 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.046 -1.034 . . . . 0.0 110.241 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.876 HD21 ' CE2' ' A' ' 87' ' ' PHE . 9.1 mt -76.72 -166.28 0.65 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.296 -0.878 . . . . 0.0 109.749 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.18 159.35 31.7 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.326 -0.859 . . . . 0.0 109.738 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 m120 56.99 16.17 2.7 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.496 -0.753 . . . . 0.0 109.92 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -117.33 179.98 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.226 -0.922 . . . . 0.0 109.039 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.487 ' HG3' HG23 ' A' ' 42' ' ' VAL . 8.0 ptmt -157.73 -174.76 5.01 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.337 -0.852 . . . . 0.0 108.96 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -117.95 135.02 54.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.481 -0.762 . . . . 0.0 109.517 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -144.35 71.94 1.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.376 -0.827 . . . . 0.0 109.378 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.52 -103.79 2.5 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -124.67 1.11 8.19 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.259 -1.142 . . . . 0.0 109.412 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -133.15 135.63 45.27 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.202 -0.936 . . . . 0.0 109.224 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.3 m -74.01 151.48 40.25 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.095 -1.003 . . . . 0.0 109.549 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.487 HG23 ' HG3' ' A' ' 35' ' ' LYS . 29.8 m -129.58 164.28 32.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 121.181 -0.949 . . . . 0.0 109.793 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.81 148.71 19.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.359 -0.838 . . . . 0.0 109.399 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 26.4 t-20 -120.84 112.9 33.38 Favored Pre-proline 0 CA--C 1.536 0.423 0 O-C-N 121.312 -0.867 . . . . 0.0 109.527 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HD2' ' H ' ' A' ' 46' ' ' ASN . 12.8 Cg_endo -89.64 -23.35 0.78 Allowed 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 124.928 3.752 . . . . 0.0 109.916 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.408 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 29.4 m120 -133.02 84.53 48.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 121.391 -0.818 . . . . 0.0 109.073 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -90.5 146.98 4.17 Favored 'Trans proline' 0 N--CA 1.477 0.513 1 C-N-CA 125.551 4.167 . . . . 0.0 110.71 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -153.58 -151.55 0.38 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.354 -0.841 . . . . 0.0 108.995 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -116.5 -34.16 4.66 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.045 -1.034 . . . . 0.0 108.644 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -69.84 2.86 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.53 -0.731 . . . . 0.0 109.361 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -98.32 52.31 1.03 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.174 -0.954 . . . . 0.0 108.771 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 42.57 69.83 0.34 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.536 0.684 . . . . 0.0 109.691 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.479 HD22 ' N ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER 61.18 93.09 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 122.25 1.024 . . . . 0.0 108.889 -179.256 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.55 -32.34 54.8 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 107.789 -2.124 . . . . 0.0 107.789 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.445 ' H ' ' H ' ' A' ' 56' ' ' CYS . . . -169.53 7.38 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 107.461 -2.256 . . . . 0.0 107.461 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.479 ' N ' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -105.74 71.55 0.92 Allowed 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.565 -0.962 . . . . 0.0 110.575 -179.788 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.44 ' OD2' ' HB2' ' A' ' 60' ' ' ALA . 0.1 OUTLIER 30.2 -92.55 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.492 0.663 . . . . 0.0 112.227 179.084 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -160.25 -19.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.185 -0.947 . . . . 0.0 108.878 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.01 -9.82 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.44 ' HB2' ' OD2' ' A' ' 57' ' ' ASP . . . -69.8 147.14 50.81 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.391 -0.818 . . . . 0.0 109.154 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 125.56 30.58 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.257 -0.902 . . . . 0.0 109.481 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.39 135.88 41.13 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.453 -0.779 . . . . 0.0 108.953 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.78 142.76 51.45 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.147 -0.97 . . . . 0.0 109.85 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.91 0.03 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.334 -0.854 . . . . 0.0 109.42 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 O-C-N 121.303 -0.873 . . . . 0.0 109.708 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.9 161.98 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.285 -0.884 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.487 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.3 mm -142.46 114.0 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 O-C-N 121.304 -0.873 . . . . 0.0 109.532 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.2 152.14 23.86 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.304 -0.873 . . . . 0.0 109.216 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -130.04 140.62 50.83 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.232 -0.918 . . . . 0.0 109.782 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -143.07 121.1 12.08 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.419 -0.801 . . . . 0.0 109.089 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 106.85 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.184 -0.947 . . . . 0.0 109.517 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 79' ' ' THR . 11.7 t -78.93 43.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.295 -0.878 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.95 168.62 9.93 Favored Pre-proline 0 CA--C 1.532 0.281 0 O-C-N 121.244 -0.91 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -87.28 -48.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.658 0 C-N-CA 125.197 3.931 . . . . 0.0 110.107 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.04 16.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.235 -0.916 . . . . 0.0 109.059 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 p -66.27 116.15 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.397 -0.815 . . . . 0.0 109.545 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -139.2 69.33 40.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 121.293 -0.88 . . . . 0.0 109.18 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -31.07 111.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.48 0.686 1 C-N-CA 126.336 4.691 . . . . 0.0 111.142 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.6 mt -75.0 -35.25 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.876 ' CE2' HD21 ' A' ' 31' ' ' LEU . 6.7 m-85 -109.75 -107.14 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -116.76 25.61 10.43 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 121.685 -0.635 . . . . 0.0 109.617 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.85 -19.33 12.3 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 119.716 -1.23 . . . . 0.0 110.24 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.924 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.3 OUTLIER -65.39 -5.43 2.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 O-C-N 120.998 -1.295 . . . . 0.0 109.737 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.924 ' CE2' HD12 ' A' ' 90' ' ' ILE . 40.7 m-85 -139.84 79.77 1.73 Allowed 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.02 -1.05 . . . . 0.0 109.737 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 20.3 m -90.21 100.13 13.02 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.196 -0.94 . . . . 0.0 109.109 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 O-C-N 121.279 -0.888 . . . . 0.0 109.697 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.477 ' HD2' HD11 ' A' ' 86' ' ' LEU . 32.9 p-80 . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.48 10.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.241 -0.912 . . . . 0.0 109.272 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.8 m 58.45 172.52 0.06 Allowed 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.368 -0.832 . . . . 0.0 109.616 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.422 HG23 ' OE2' ' A' ' 26' ' ' GLU . 2.4 t -99.71 -79.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 O-C-N 121.181 -0.949 . . . . 0.0 109.599 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -112.08 -87.81 0.54 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.222 -0.924 . . . . 0.0 109.482 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HG2' ' H ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER 56.77 -135.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.217 -0.927 . . . . 0.0 109.411 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.451 ' H ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -161.4 -90.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.253 -0.905 . . . . 0.0 109.596 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 13.7 t 65.83 126.12 0.03 OUTLIER Pre-proline 0 CA--C 1.54 0.571 0 O-C-N 121.68 -0.638 . . . . 0.0 109.314 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 29.4 Cg_endo -87.34 177.42 3.83 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 124.387 3.392 . . . . 0.0 110.604 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.4 ' H ' ' HG3' ' A' ' 14' ' ' GLN . 29.6 mt-30 -62.19 178.44 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.29 -0.881 . . . . 0.0 109.325 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.618 ' HA ' HD12 ' A' ' 31' ' ' LEU . 20.9 m-20 55.22 22.44 4.71 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.268 -0.895 . . . . 0.0 109.09 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.408 ' HA ' ' N ' ' A' ' 31' ' ' LEU . 1.4 m -160.5 125.83 3.89 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.3 -0.875 . . . . 0.0 109.528 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.52 169.3 21.31 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 109.286 -1.525 . . . . 0.0 109.286 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.66 173.07 7.09 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.071 -1.252 . . . . 0.0 109.888 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -169.92 110.82 0.43 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.325 -0.859 . . . . 0.0 109.003 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 13.2 ttt-85 -113.0 77.93 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.14 -0.975 . . . . 0.0 109.633 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.516 ' O ' HD12 ' A' ' 22' ' ' LEU . 85.9 m-70 -154.85 163.02 40.88 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.229 -0.92 . . . . 0.0 110.156 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 21' ' ' HIS . 0.7 OUTLIER 70.91 -40.0 0.46 Allowed 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.881 -0.512 . . . . 0.0 110.565 179.233 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.58 5.54 25.14 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 120.909 -1.119 . . . . 0.0 109.417 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 54.93 22.52 4.38 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.376 -0.828 . . . . 0.0 108.889 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -140.51 148.1 40.54 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.498 -0.751 . . . . 0.0 109.345 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' OE2' HG23 ' A' ' 8' ' ' VAL . 36.7 mt-10 -78.08 143.34 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.285 -0.885 . . . . 0.0 109.638 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -139.46 166.28 25.0 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.308 -0.87 . . . . 0.0 109.306 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -124.62 92.36 3.64 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.132 -0.98 . . . . 0.0 109.51 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -87.03 155.76 20.02 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -77.26 152.38 34.67 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 120.853 -1.155 . . . . 0.0 109.81 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.73 HD21 ' CE1' ' A' ' 87' ' ' PHE . 6.5 mt -59.45 -167.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.422 -0.799 . . . . 0.0 109.782 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.678 ' HG ' HG21 ' A' ' 90' ' ' ILE . 2.7 mt -77.91 163.88 25.62 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.256 -0.903 . . . . 0.0 109.169 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 57.82 17.32 4.13 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.22 -0.925 . . . . 0.0 109.428 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -122.71 177.7 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.309 -0.87 . . . . 0.0 109.333 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.481 ' HB3' ' ND2' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -154.09 -179.06 7.53 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.323 -0.86 . . . . 0.0 108.818 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -123.86 134.45 53.57 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.307 -0.871 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 65.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.313 -0.867 . . . . 0.0 109.206 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.04 -101.51 1.27 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.9 -0.56 5.96 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.244 -1.151 . . . . 0.0 109.335 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -128.84 131.88 47.73 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.247 -0.908 . . . . 0.0 109.222 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.9 m -79.59 151.55 30.57 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.191 -0.943 . . . . 0.0 109.646 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.9 m -131.46 170.11 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 121.191 -0.943 . . . . 0.0 109.826 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.0 145.68 40.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.357 -0.839 . . . . 0.0 109.752 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.481 ' ND2' ' HB3' ' A' ' 35' ' ' LYS . 27.3 t-20 -128.11 67.76 75.07 Favored Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 121.314 -0.866 . . . . 0.0 109.559 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -34.34 -33.72 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.769 1 C-N-CA 126.013 4.475 . . . . 0.0 110.455 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -131.07 91.58 35.79 Favored Pre-proline 0 CA--C 1.532 0.258 0 O-C-N 121.363 -0.836 . . . . 0.0 109.404 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -87.33 169.73 7.08 Favored 'Trans proline' 0 N--CA 1.48 0.677 0 C-N-CA 125.147 3.898 . . . . 0.0 110.168 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.782 HG23 ' HG2' ' A' ' 51' ' ' GLU . 9.6 t -155.97 -175.31 5.36 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.229 -0.919 . . . . 0.0 109.659 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.3 m -111.05 -30.69 7.39 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -18.37 14.58 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 121.384 -0.822 . . . . 0.0 109.042 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.782 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.9 pt-20 -74.04 66.39 1.2 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.464 -0.772 . . . . 0.0 108.934 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 4.2 p-10 42.08 53.44 4.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.123 0.487 . . . . 0.0 111.23 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.526 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.3 OUTLIER 62.34 67.41 0.73 Allowed 'General case' 0 N--CA 1.463 0.184 0 O-C-N 120.936 -1.102 . . . . 0.0 108.945 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.01 -49.18 5.14 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 108.711 -1.756 . . . . 0.0 108.711 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.71 -21.34 77.02 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.526 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.86 152.87 27.44 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 121.132 -1.217 . . . . 0.0 110.177 -179.804 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -92.3 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 O-C-N 121.452 -0.78 . . . . 0.0 109.918 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.89 -27.99 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.268 -0.895 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -113.28 -12.06 13.12 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.243 -0.911 . . . . 0.0 109.421 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.43 177.93 2.66 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.267 -0.895 . . . . 0.0 109.391 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 120.81 41.93 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.126 -0.984 . . . . 0.0 109.658 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.94 151.5 19.36 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.273 -0.892 . . . . 0.0 109.243 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.37 152.36 35.65 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.07 -1.019 . . . . 0.0 109.5 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -145.05 -18.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.272 -0.893 . . . . 0.0 109.574 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--N 1.33 -0.242 0 O-C-N 121.178 -0.951 . . . . 0.0 109.511 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.4 139.97 49.05 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.164 -0.96 . . . . 0.0 109.519 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -137.33 142.25 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 121.261 -0.899 . . . . 0.0 109.276 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.34 162.71 28.45 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.188 -0.945 . . . . 0.0 109.455 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.95 140.31 9.16 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.211 -0.931 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -144.43 116.92 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.329 -0.857 . . . . 0.0 109.091 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.2 86.52 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.269 -0.894 . . . . 0.0 109.091 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.403 ' H ' HG22 ' A' ' 79' ' ' THR . 4.4 t -81.13 29.6 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.296 -0.877 . . . . 0.0 109.384 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -91.75 176.41 2.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 121.306 -0.871 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.411 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 10.6 Cg_endo -86.68 136.46 4.47 Favored 'Trans proline' 0 N--CA 1.476 0.488 0 C-N-CA 125.265 3.977 . . . . 0.0 109.766 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 66.04 6.52 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.358 -0.839 . . . . 0.0 109.063 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 54.3 p -66.6 121.3 15.05 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.315 -0.866 . . . . 0.0 109.076 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 83' ' ' SER . 9.2 m-85 -143.33 79.47 14.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 O-C-N 121.247 -0.908 . . . . 0.0 109.447 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 24.6 Cg_exo -30.66 117.17 0.06 OUTLIER 'Trans proline' 0 N--CA 1.482 0.804 1 C-N-CA 125.96 4.44 . . . . 0.0 111.095 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.477 HD11 ' HD2' ' A' ' 5' ' ' HIS . 19.9 mt -75.95 -27.91 57.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.73 ' CE1' HD21 ' A' ' 31' ' ' LEU . 71.2 m-85 -121.0 -110.08 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.53 31.2 6.5 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.535 -0.728 . . . . 0.0 109.833 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.77 49.78 1.9 Allowed Glycine 0 CA--C 1.529 0.948 0 C-N-CA 119.656 -1.259 . . . . 0.0 110.149 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.751 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -129.45 1.54 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 O-C-N 121.158 -1.201 . . . . 0.0 109.036 179.431 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.751 ' CE2' HD12 ' A' ' 90' ' ' ILE . 94.8 m-85 -153.71 39.87 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.385 -0.822 . . . . 0.0 109.331 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 m -67.0 111.55 3.89 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.248 -0.907 . . . . 0.0 109.355 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--N 1.33 -0.267 0 O-C-N 121.195 -0.941 . . . . 0.0 109.521 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.438 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.167 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -60.04 -13.71 12.93 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.238 -0.914 . . . . 0.0 109.564 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 m 57.12 177.64 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.28 -0.887 . . . . 0.0 109.592 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.02 -69.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 121.175 -0.953 . . . . 0.0 109.491 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 -2.69 12.45 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.283 -0.885 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HZ2' ' HG2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -69.16 156.25 39.02 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.221 -0.924 . . . . 0.0 109.406 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -154.94 -23.63 0.12 Allowed 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.267 -0.896 . . . . 0.0 109.804 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.5 m 60.77 169.96 0.08 OUTLIER Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 121.163 -0.961 . . . . 0.0 109.087 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -85.94 169.69 8.87 Favored 'Trans proline' 0 N--CA 1.478 0.606 0 C-N-CA 125.064 3.843 . . . . 0.0 110.533 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -54.25 161.64 1.27 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.321 -0.862 . . . . 0.0 109.654 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.681 ' HA ' HD12 ' A' ' 31' ' ' LEU . 4.7 m-80 62.59 25.79 15.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.301 -0.875 . . . . 0.0 109.529 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -162.57 141.22 8.82 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.144 -0.972 . . . . 0.0 109.924 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.02 -177.67 17.79 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.77 159.04 15.51 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.233 -1.157 . . . . 0.0 109.84 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.73 ' HE2' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -157.1 97.21 1.65 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -124.21 84.13 2.24 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.142 -0.974 . . . . 0.0 110.359 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.423 ' CE1' ' HG ' ' A' ' 22' ' ' LEU . 5.6 p80 -175.63 -38.05 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.019 -1.05 . . . . 0.0 110.183 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.73 HD12 ' HE2' ' A' ' 19' ' ' PHE . 6.0 mt -75.04 -5.17 42.64 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.084 -1.01 . . . . 0.0 109.687 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -142.99 11.09 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.294 -0.879 . . . . 0.0 108.838 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 54.78 20.0 2.83 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.412 -0.805 . . . . 0.0 109.365 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mtt85 -138.31 149.15 45.38 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.394 -0.816 . . . . 0.0 108.918 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HG2' ' HZ2' ' A' ' 10' ' ' LYS . 3.8 mt-10 -81.84 116.62 21.59 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.168 -0.957 . . . . 0.0 109.965 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.21 160.81 28.31 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.352 -0.843 . . . . 0.0 109.28 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 m -113.99 108.31 16.85 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.272 -0.892 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -93.8 172.48 8.22 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.253 -0.904 . . . . 0.0 108.958 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.439 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.2 m -97.62 150.76 20.8 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 120.895 -1.128 . . . . 0.0 109.239 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.683 HD23 ' CD1' ' A' ' 90' ' ' ILE . 68.7 mt -61.0 -164.73 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.082 -1.011 . . . . 0.0 109.725 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.13 167.21 22.28 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.144 -0.972 . . . . 0.0 109.619 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 56.73 19.19 4.19 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.206 -0.934 . . . . 0.0 109.276 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 23.7 m-85 -128.29 175.45 8.46 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.319 -0.863 . . . . 0.0 109.429 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.432 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -159.53 -172.7 3.81 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -115.46 140.68 48.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.43 -0.794 . . . . 0.0 109.484 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.4 ' OE1' HG11 ' A' ' 42' ' ' VAL . 67.8 tt0 -163.93 87.28 0.5 Allowed 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.221 -0.924 . . . . 0.0 109.384 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.56 -117.91 5.93 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -120.52 12.74 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.302 -1.117 . . . . 0.0 109.419 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -146.66 139.61 25.37 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.239 -0.913 . . . . 0.0 109.183 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.5 m -70.41 150.8 45.87 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.129 -0.982 . . . . 0.0 109.15 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.432 HG23 ' HG3' ' A' ' 35' ' ' LYS . 32.1 m -126.33 174.21 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 O-C-N 121.141 -0.974 . . . . 0.0 109.687 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.7 149.41 50.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.254 -0.903 . . . . 0.0 109.454 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.73 67.69 51.28 Favored Pre-proline 0 C--N 1.331 -0.234 0 O-C-N 121.23 -0.919 . . . . 0.0 109.687 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -34.54 -43.77 0.38 Allowed 'Trans proline' 0 N--CA 1.482 0.807 1 C-N-CA 125.954 4.436 . . . . 0.0 110.461 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -129.07 89.0 49.81 Favored Pre-proline 0 CA--C 1.533 0.289 0 O-C-N 121.318 -0.864 . . . . 0.0 109.105 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -88.99 143.46 4.89 Favored 'Trans proline' 0 N--CA 1.477 0.541 1 C-N-CA 125.399 4.066 . . . . 0.0 110.604 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 t -131.86 -163.98 1.4 Allowed 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.341 -0.85 . . . . 0.0 109.159 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.45 -27.0 8.43 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.244 -0.91 . . . . 0.0 108.753 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -69.61 1.82 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -100.82 51.03 0.87 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 p30 41.56 72.12 0.18 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.285 0.564 . . . . 0.0 110.389 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.504 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER 61.68 89.48 0.08 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 122.598 1.189 . . . . 0.0 108.425 -179.675 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.81 35.13 4.58 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 107.973 -2.051 . . . . 0.0 107.973 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.67 -11.55 7.04 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 107.981 -2.048 . . . . 0.0 107.981 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.504 ' C ' HD22 ' A' ' 53' ' ' ASN . 62.4 m -111.09 128.74 55.97 Favored 'General case' 0 C--O 1.23 0.077 0 O-C-N 121.298 -1.119 . . . . 0.0 108.5 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.465 ' HB2' ' H ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -38.56 129.59 1.41 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.361 0.601 . . . . 0.0 111.03 -178.636 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.541 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . . . -52.63 -24.03 7.66 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.598 -0.689 . . . . 0.0 109.543 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.69 -16.94 19.72 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.204 -0.935 . . . . 0.0 109.474 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.465 ' H ' ' HB2' ' A' ' 57' ' ' ASP . . . -75.7 166.28 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.199 -0.938 . . . . 0.0 109.657 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -95.68 106.05 18.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.7 t -79.7 149.61 31.15 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.265 -0.897 . . . . 0.0 109.782 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.33 141.59 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.32 -0.862 . . . . 0.0 108.939 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -145.28 0.71 0.92 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.18 -0.95 . . . . 0.0 109.481 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--N 1.331 -0.196 0 O-C-N 121.23 -0.919 . . . . 0.0 109.385 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -115.42 135.56 53.99 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.222 -0.924 . . . . 0.0 109.507 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.96 130.02 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 121.386 -0.821 . . . . 0.0 109.089 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.66 142.56 50.7 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.073 -1.017 . . . . 0.0 109.676 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 m -117.62 113.96 22.69 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.293 -0.88 . . . . 0.0 109.28 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -116.5 120.4 38.63 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.206 -0.934 . . . . 0.0 109.036 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 151.41 41.65 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.073 -1.017 . . . . 0.0 108.925 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -107.89 -4.27 18.12 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.199 -0.938 . . . . 0.0 109.513 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.67 170.14 16.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.26 -0.9 . . . . 0.0 109.278 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -87.0 -49.53 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.662 1 C-N-CA 125.335 4.023 . . . . 0.0 110.076 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -82.61 21.89 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.288 -0.883 . . . . 0.0 108.906 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.1 121.15 16.93 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.501 -0.749 . . . . 0.0 109.545 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.414 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 11.8 m-85 -140.0 87.57 12.42 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 121.322 -0.861 . . . . 0.0 108.967 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 24.9 Cg_exo -30.65 110.09 0.04 OUTLIER 'Trans proline' 0 N--CA 1.483 0.867 1 C-N-CA 125.764 4.31 . . . . 0.0 111.214 -179.461 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.424 ' HG ' ' CE1' ' A' ' 5' ' ' HIS . 1.1 mm? -67.76 -20.68 65.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -142.86 -105.68 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -111.55 23.51 13.85 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.086 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.3 25.99 5.6 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 119.458 -1.353 . . . . 0.0 110.704 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.683 ' CD1' HD23 ' A' ' 31' ' ' LEU . 2.0 pt -96.76 -29.26 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 120.883 -1.363 . . . . 0.0 108.806 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.67 ' CE2' HD12 ' A' ' 90' ' ' ILE . 5.0 m-85 -137.29 107.14 6.26 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.39 -0.819 . . . . 0.0 109.162 179.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 73.6 m -99.82 102.86 14.41 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.971 -1.08 . . . . 0.0 109.197 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.438 ' HB3' ' CD2' ' A' ' 5' ' ' HIS . 30.1 t . . . . . 0 C--N 1.329 -0.311 0 O-C-N 121.22 -0.925 . . . . 0.0 109.534 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.462 ' CD2' ' CE1' ' A' ' 21' ' ' HIS . 2.7 m-70 . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.2 -138.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.254 -0.904 . . . . 0.0 109.454 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.55 -173.75 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.297 -0.877 . . . . 0.0 109.561 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -126.45 -60.05 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 121.271 -0.893 . . . . 0.0 109.427 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -163.98 55.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.28 -0.887 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.593 ' HZ1' ' CA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -85.98 1.59 49.58 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.19 -0.944 . . . . 0.0 109.649 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 68.14 64.45 0.36 Allowed 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.447 -0.783 . . . . 0.0 109.968 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 28' ' ' CYS . 33.2 t -104.7 138.21 19.45 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -82.37 -179.95 5.01 Favored 'Trans proline' 0 N--CA 1.484 0.926 0 C-N-CA 124.338 3.359 . . . . 0.0 111.151 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -77.99 177.87 7.93 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 121.429 -0.794 . . . . 0.0 109.027 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.881 ' HA ' HD12 ' A' ' 31' ' ' LEU . 7.3 m120 58.97 27.95 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.098 -1.001 . . . . 0.0 108.409 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.96 136.69 17.06 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.412 ' HA3' ' CE2' ' A' ' 91' ' ' PHE . . . -100.36 168.25 20.77 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.12 171.06 8.84 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.318 -1.107 . . . . 0.0 109.872 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -169.89 89.42 0.17 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -117.36 86.88 2.6 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.09 -1.006 . . . . 0.0 110.219 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.552 ' CE1' HD11 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -176.31 175.45 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.153 -0.967 . . . . 0.0 109.609 179.299 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.552 HD11 ' CE1' ' A' ' 21' ' ' HIS . 11.9 mt 72.34 -46.65 0.65 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.05 9.47 15.97 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.202 -0.936 . . . . 0.0 108.474 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 53.07 25.84 4.42 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -120.66 141.99 49.86 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.339 -0.851 . . . . 0.0 109.491 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.469 ' C ' ' HZ1' ' A' ' 10' ' ' LYS . 16.9 mt-10 -83.74 122.42 28.62 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.341 -0.849 . . . . 0.0 109.619 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.593 ' CA ' ' HZ1' ' A' ' 10' ' ' LYS . 3.1 mt-10 -129.24 157.65 41.25 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.206 -0.933 . . . . 0.0 109.598 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -130.13 101.3 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.741 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 3.4 ttmm -88.54 174.08 8.29 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.512 -0.742 . . . . 0.0 109.116 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.497 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 15.2 m -85.6 162.43 18.85 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 120.918 -1.114 . . . . 0.0 109.325 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 15' ' ' ASN . 15.6 mt -77.99 -169.06 1.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.185 -0.947 . . . . 0.0 109.763 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.477 HD23 ' HA2' ' A' ' 55' ' ' GLY . 9.4 mt -70.0 154.51 41.85 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.322 -0.861 . . . . 0.0 109.586 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 57.44 16.72 3.39 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.319 -0.863 . . . . 0.0 109.546 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -126.47 114.16 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.215 -0.928 . . . . 0.0 109.411 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' CE ' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -93.13 -171.99 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.291 -0.88 . . . . 0.0 109.301 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -123.9 134.43 53.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.566 -0.709 . . . . 0.0 109.23 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -156.25 133.97 11.03 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.164 -0.96 . . . . 0.0 109.513 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.82 -91.2 0.26 Allowed Glycine 0 CA--C 1.529 0.929 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -149.62 -2.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.237 -1.155 . . . . 0.0 109.373 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -131.37 146.14 52.15 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.221 -0.924 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.5 m -74.46 144.09 44.38 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.236 -0.915 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.403 ' CG2' ' CE ' ' A' ' 35' ' ' LYS . 34.0 m -121.77 177.7 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 121.12 -0.987 . . . . 0.0 109.741 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -82.13 131.65 35.24 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.241 -0.912 . . . . 0.0 109.695 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.432 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 10.0 t30 -105.89 134.11 19.89 Favored Pre-proline 0 CA--C 1.534 0.336 0 O-C-N 121.333 -0.854 . . . . 0.0 109.417 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 19.6 Cg_endo -91.17 -15.29 1.58 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 124.783 3.656 . . . . 0.0 109.943 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -151.69 92.69 3.61 Favored Pre-proline 0 CA--C 1.534 0.343 0 O-C-N 121.439 -0.788 . . . . 0.0 109.215 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -89.65 143.59 4.39 Favored 'Trans proline' 0 N--CA 1.479 0.674 0 C-N-CA 125.251 3.967 . . . . 0.0 110.589 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.412 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 8.5 t -129.09 -163.56 1.3 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.272 -0.892 . . . . 0.0 109.354 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.6 m -111.91 -27.99 8.22 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.195 -0.94 . . . . 0.0 108.748 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -69.89 1.43 4.46 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.46 -0.775 . . . . 0.0 108.956 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 48' ' ' THR . 9.6 pt-20 -99.77 51.15 0.92 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 4.2 p-10 42.07 73.14 0.14 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.248 0.547 . . . . 0.0 110.365 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 6.6 t-20 60.07 85.85 0.1 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.714 0.769 . . . . 0.0 109.192 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.13 44.25 2.18 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 107.993 -2.043 . . . . 0.0 107.993 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.477 ' HA2' HD23 ' A' ' 32' ' ' LEU . . . 129.42 -17.73 5.55 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 107.927 -2.069 . . . . 0.0 107.927 -178.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 57' ' ' ASP . 55.1 m -111.8 110.29 20.56 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 121.43 -1.041 . . . . 0.0 109.093 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 39.4 t0 -28.19 139.1 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.364 0.602 . . . . 0.0 111.924 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.3 -32.73 62.66 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.423 -0.798 . . . . 0.0 108.96 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -84.63 -11.45 55.93 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.376 -0.827 . . . . 0.0 109.081 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.3 157.57 15.84 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.221 -0.924 . . . . 0.0 109.64 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -84.87 168.81 14.73 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.269 -0.895 . . . . 0.0 109.435 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.1 t -134.34 152.72 51.97 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.313 -0.867 . . . . 0.0 109.475 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -142.88 142.25 31.72 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.227 -0.921 . . . . 0.0 109.27 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.02 2.67 3.38 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.249 -0.907 . . . . 0.0 109.326 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.33 -0.257 0 O-C-N 121.416 -0.802 . . . . 0.0 109.445 179.932 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -79.18 105.9 10.83 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.293 -0.879 . . . . 0.0 109.219 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 mm -142.49 150.67 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 121.225 -0.922 . . . . 0.0 109.456 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.77 148.32 31.82 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.236 -0.915 . . . . 0.0 109.366 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -125.54 141.66 51.92 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.236 -0.915 . . . . 0.0 109.451 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.49 115.88 9.5 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.203 -0.936 . . . . 0.0 109.451 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 102.62 15.29 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.244 -0.91 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 p -66.11 -11.81 51.43 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.325 -0.859 . . . . 0.0 109.631 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 167.44 4.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 121.118 -0.989 . . . . 0.0 109.302 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.424 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 14.4 Cg_endo -88.4 -43.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.603 0 C-N-CA 125.228 3.952 . . . . 0.0 110.165 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.424 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -82.16 21.85 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.324 -0.86 . . . . 0.0 109.204 179.693 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.8 p -53.11 104.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.576 -0.702 . . . . 0.0 109.387 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.486 ' H ' ' H ' ' A' ' 93' ' ' SER . 5.3 m-85 -139.34 69.68 39.91 Favored Pre-proline 0 C--N 1.328 -0.358 0 O-C-N 121.408 -0.807 . . . . 0.0 109.211 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -31.37 141.59 0.04 OUTLIER 'Trans proline' 0 N--CA 1.481 0.752 1 C-N-CA 126.171 4.58 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' A' ' 91' ' ' PHE . 35.8 mt -103.3 -6.92 21.53 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.335 -0.853 . . . . 0.0 109.344 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.41 ' HB2' HD11 ' A' ' 90' ' ' ILE . 83.5 m-85 -152.01 -16.49 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.191 -0.943 . . . . 0.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER 167.46 -42.35 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.796 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.432 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . 167.98 9.31 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.798 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.3 pt -80.48 -12.29 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 O-C-N 121.193 -1.18 . . . . 0.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.798 ' CE2' HD12 ' A' ' 90' ' ' ILE . 52.8 m-85 -144.37 69.97 1.28 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.366 -0.834 . . . . 0.0 109.506 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 38.8 m -70.01 125.01 25.52 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.208 -0.932 . . . . 0.0 109.463 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.486 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 O-C-N 121.226 -0.921 . . . . 0.0 109.428 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.2 m80 . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.86 13.74 25.71 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.304 -0.872 . . . . 0.0 109.358 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 m 62.4 -167.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.236 -0.915 . . . . 0.0 109.424 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.0 t -102.39 -61.18 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 121.31 -0.869 . . . . 0.0 109.493 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.52 25.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.273 -0.892 . . . . 0.0 109.473 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -59.86 150.88 27.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.181 -0.949 . . . . 0.0 109.427 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -127.55 93.86 3.82 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.256 -0.903 . . . . 0.0 109.469 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 175.11 4.6 Favored Pre-proline 0 C--N 1.33 -0.259 0 O-C-N 121.317 -0.864 . . . . 0.0 109.345 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -89.44 167.73 5.14 Favored 'Trans proline' 0 N--CA 1.478 0.596 1 C-N-CA 125.541 4.161 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.6 176.43 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.262 -0.899 . . . . 0.0 109.462 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.868 ' HA ' HD12 ' A' ' 31' ' ' LEU . 8.8 m-20 55.36 21.21 4.04 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 121.201 -0.937 . . . . 0.0 109.313 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 t -159.65 155.19 25.71 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.236 -0.915 . . . . 0.0 109.79 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.05 162.67 25.64 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.5 149.08 24.62 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.187 -1.184 . . . . 0.0 109.719 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 48.2 t80 -153.12 138.28 17.38 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.315 -0.866 . . . . 0.0 109.25 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -78.99 115.32 18.6 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.239 -0.913 . . . . 0.0 109.526 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 139.33 40.66 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.29 -0.881 . . . . 0.0 109.377 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 2.7 mm? -62.44 -11.11 13.97 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.287 -0.883 . . . . 0.0 109.261 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.71 34.73 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.344 -0.848 . . . . 0.0 109.487 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 59.34 33.64 22.54 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.22 -0.925 . . . . 0.0 109.518 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -123.16 -179.39 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.18 -0.95 . . . . 0.0 109.418 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -139.37 130.82 27.02 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.323 -0.861 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.09 164.37 37.4 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.185 -0.947 . . . . 0.0 109.54 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.7 m -106.61 114.48 28.62 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.278 -0.889 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -101.86 137.71 39.8 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.259 -0.901 . . . . 0.0 109.246 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.3 m -55.52 167.12 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.156 -0.965 . . . . 0.0 109.4 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.868 HD12 ' HA ' ' A' ' 15' ' ' ASN . 18.1 mt -79.8 -168.5 1.62 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.164 -0.96 . . . . 0.0 109.651 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD12 HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -69.98 155.48 40.52 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.314 -0.867 . . . . 0.0 109.548 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.4 m120 58.32 16.78 4.25 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.353 -0.842 . . . . 0.0 109.378 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 10.0 m-85 -128.37 116.58 19.99 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.408 -0.807 . . . . 0.0 109.237 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -101.11 -176.97 3.31 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.162 -0.961 . . . . 0.0 109.025 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -109.98 136.65 48.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.444 -0.785 . . . . 0.0 109.302 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -169.94 147.61 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.25 -0.906 . . . . 0.0 109.587 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.0 -122.56 30.07 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -119.45 15.57 12.94 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.224 -1.163 . . . . 0.0 109.618 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -159.82 156.74 27.99 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.173 -0.954 . . . . 0.0 109.388 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.4 m -73.52 134.67 43.89 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.111 -0.993 . . . . 0.0 109.508 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.412 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 18.6 m -105.87 -179.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 121.247 -0.908 . . . . 0.0 109.647 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.46 144.42 39.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.439 -0.788 . . . . 0.0 109.754 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -127.5 75.81 77.24 Favored Pre-proline 0 CA--C 1.532 0.275 0 O-C-N 121.468 -0.77 . . . . 0.0 109.269 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -31.54 -36.25 0.05 OUTLIER 'Trans proline' 0 N--CA 1.483 0.856 1 C-N-CA 125.96 4.44 . . . . 0.0 111.289 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.02 91.45 8.03 Favored Pre-proline 0 CA--C 1.533 0.326 0 O-C-N 121.11 -0.994 . . . . 0.0 109.619 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -51.9 175.5 0.07 OUTLIER 'Trans proline' 0 N--CA 1.485 1.014 0 C-N-CA 124.041 3.161 . . . . 0.0 109.642 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.878 HG21 ' CG ' ' A' ' 51' ' ' GLU . 6.6 t -130.3 -166.06 1.63 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.036 -1.04 . . . . 0.0 109.732 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.9 m -148.8 -37.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -65.86 -5.66 9.78 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.546 -0.721 . . . . 0.0 109.079 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.878 ' CG ' HG21 ' A' ' 48' ' ' THR . 34.5 mm-40 -92.89 49.85 1.49 Allowed 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.147 -0.971 . . . . 0.0 108.61 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 6.4 p30 40.98 69.79 0.31 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.064 0.459 . . . . 0.0 110.413 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.8 OUTLIER 70.81 83.06 0.15 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.623 0.725 . . . . 0.0 109.354 -179.664 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.8 -23.82 31.3 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 108.604 -1.798 . . . . 0.0 108.604 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.428 ' H ' ' H ' ' A' ' 56' ' ' CYS . . . 162.75 11.71 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 107.481 -2.248 . . . . 0.0 107.481 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.53 ' O ' ' O ' ' A' ' 57' ' ' ASP . 61.1 m -95.68 69.76 2.97 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 118.958 -1.097 . . . . 0.0 110.43 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.545 ' HB3' ' H ' ' A' ' 60' ' ' ALA . 6.1 t0 39.28 120.71 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 122.292 1.044 . . . . 0.0 112.903 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.43 -17.53 1.25 Allowed 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.74 -1.225 . . . . 0.0 109.968 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -17.18 15.38 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.164 -0.96 . . . . 0.0 109.526 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.545 ' H ' ' HB3' ' A' ' 57' ' ' ASP . . . -87.53 170.41 11.35 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 121.084 -1.01 . . . . 0.0 109.651 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HD3' ' H ' ' A' ' 62' ' ' CYS . 0.0 OUTLIER -95.55 176.48 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.325 -0.859 . . . . 0.0 109.327 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.418 ' H ' ' HD3' ' A' ' 61' ' ' LYS . 3.3 t -134.08 136.0 43.64 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.304 -0.873 . . . . 0.0 109.391 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.63 140.11 52.3 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.181 -0.95 . . . . 0.0 109.471 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.04 18.27 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.289 -0.882 . . . . 0.0 109.768 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 CA--C 1.531 0.219 0 O-C-N 121.34 -0.85 . . . . 0.0 109.718 -179.935 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -113.92 123.69 50.37 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.187 -0.946 . . . . 0.0 109.671 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.8 mm -112.33 153.13 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 121.301 -0.874 . . . . 0.0 109.175 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.5 m -157.56 156.75 32.49 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.144 -0.972 . . . . 0.0 109.725 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.2 m -112.24 135.18 53.24 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.355 -0.841 . . . . 0.0 109.142 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -128.06 92.12 3.4 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.154 -0.966 . . . . 0.0 109.577 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.8 m -57.37 131.83 51.25 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.249 -0.907 . . . . 0.0 109.872 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 t -84.89 21.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.352 -0.842 . . . . 0.0 108.846 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.09 169.24 14.3 Favored Pre-proline 0 C--N 1.331 -0.219 0 O-C-N 121.418 -0.802 . . . . 0.0 109.161 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -83.56 126.78 4.19 Favored 'Trans proline' 0 N--CA 1.479 0.621 0 C-N-CA 124.79 3.66 . . . . 0.0 109.228 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.9 t70 72.63 -52.64 0.7 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.38 139.97 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.571 -0.706 . . . . 0.0 109.835 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.01 68.16 10.39 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 121.105 -0.997 . . . . 0.0 109.277 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -33.6 125.83 0.15 Allowed 'Trans proline' 0 N--CA 1.481 0.763 1 C-N-CA 126.055 4.504 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.617 HD21 ' O ' ' A' ' 93' ' ' SER . 84.6 mt -75.08 -30.38 60.92 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CG ' HD11 ' A' ' 90' ' ' ILE . 61.9 m-85 -128.55 -105.19 0.31 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -115.22 23.73 12.23 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.351 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.37 -19.57 8.58 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 119.567 -1.301 . . . . 0.0 110.55 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.758 ' CD1' HD23 ' A' ' 31' ' ' LEU . 4.3 pt -54.96 -32.48 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 O-C-N 121.092 -1.24 . . . . 0.0 109.235 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CB ' HD12 ' A' ' 86' ' ' LEU . 17.3 m-85 -128.59 -176.32 3.8 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.328 -0.858 . . . . 0.0 108.917 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -166.6 44.95 0.06 Allowed 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.416 -0.802 . . . . 0.0 109.16 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.617 ' O ' HD21 ' A' ' 86' ' ' LEU . 23.0 t . . . . . 0 C--N 1.33 -0.24 0 O-C-N 121.105 -0.997 . . . . 0.0 109.57 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.089 0.471 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -68.89 -20.08 64.24 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 120.984 -1.073 . . . . 0.0 109.56 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 10' ' ' LYS . 38.0 m 58.09 179.02 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.233 -0.917 . . . . 0.0 109.434 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.771 HG13 ' OE1' ' A' ' 26' ' ' GLU . 5.4 m -106.23 17.45 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 121.259 -0.901 . . . . 0.0 109.186 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt 64.0 76.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.377 -0.827 . . . . 0.0 109.444 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HZ3' ' HB3' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -102.04 -11.16 19.1 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.08 -1.013 . . . . 0.0 109.049 179.705 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 66.5 83.24 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.45 -0.781 . . . . 0.0 109.833 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -85.97 174.99 4.88 Favored Pre-proline 0 CA--C 1.531 0.237 0 O-C-N 121.113 -0.992 . . . . 0.0 109.045 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -88.2 161.09 7.06 Favored 'Trans proline' 0 N--CA 1.478 0.575 1 C-N-CA 125.39 4.06 . . . . 0.0 110.507 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -55.33 176.99 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.236 -0.915 . . . . 0.0 109.614 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 55.24 23.15 5.25 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.191 -0.943 . . . . 0.0 109.036 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -161.18 159.12 28.49 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.316 -0.865 . . . . 0.0 109.617 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.67 158.5 27.06 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.73 155.07 26.91 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.24 -1.153 . . . . 0.0 109.592 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 31.2 t80 -162.65 134.93 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.336 -0.852 . . . . 0.0 109.45 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -78.37 112.44 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.347 -0.845 . . . . 0.0 109.232 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.48 136.68 37.68 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.435 -0.79 . . . . 0.0 109.653 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.5 mm? -60.14 -14.27 16.28 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.335 -0.853 . . . . 0.0 109.287 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.41 29.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.271 -0.893 . . . . 0.0 109.461 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 64.54 33.03 11.22 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.374 -0.828 . . . . 0.0 109.679 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.21 -178.18 3.8 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.244 -0.91 . . . . 0.0 109.43 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.771 ' OE1' HG13 ' A' ' 8' ' ' VAL . 34.5 mt-10 -143.38 135.69 27.08 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.291 -0.88 . . . . 0.0 109.452 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.6 162.43 21.57 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.164 -0.96 . . . . 0.0 109.621 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 85.0 m -105.36 112.57 25.73 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.283 -0.885 . . . . 0.0 109.315 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.73 141.49 29.89 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.249 -0.907 . . . . 0.0 108.818 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 4.6 m -52.98 165.34 0.31 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.225 -0.922 . . . . 0.0 109.927 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 90' ' ' ILE . 48.5 mt -76.47 -165.67 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.213 -0.929 . . . . 0.0 110.232 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.527 ' HG ' HG22 ' A' ' 90' ' ' ILE . 3.3 mt -70.46 153.8 42.56 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 121.455 -0.778 . . . . 0.0 109.868 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 54.09 20.34 2.46 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.305 -0.872 . . . . 0.0 109.697 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.448 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 11.8 m-85 -125.1 116.65 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.167 -0.958 . . . . 0.0 109.234 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.59 -171.72 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.132 -0.98 . . . . 0.0 109.306 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.39 143.2 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.585 -0.697 . . . . 0.0 109.414 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -157.37 121.27 4.2 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.175 -0.953 . . . . 0.0 109.39 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.21 -103.59 0.56 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.42 2.99 5.09 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.252 -1.146 . . . . 0.0 109.489 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 142.86 47.99 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.178 -0.951 . . . . 0.0 109.365 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.9 m -71.85 142.02 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.243 -0.911 . . . . 0.0 109.23 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -114.44 179.96 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 O-C-N 121.2 -0.937 . . . . 0.0 109.555 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.63 135.64 38.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.223 -0.923 . . . . 0.0 109.569 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.8 t-20 -116.41 124.85 29.04 Favored Pre-proline 0 CA--C 1.537 0.464 0 O-C-N 121.238 -0.914 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 18.1 Cg_endo -92.2 -16.28 1.09 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 124.773 3.649 . . . . 0.0 110.345 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -129.28 97.61 25.23 Favored Pre-proline 0 CA--C 1.534 0.36 0 O-C-N 121.289 -0.882 . . . . 0.0 109.755 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -89.84 176.59 2.78 Favored 'Trans proline' 0 N--CA 1.478 0.572 0 C-N-CA 125.254 3.969 . . . . 0.0 109.813 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.816 HG21 ' HG3' ' A' ' 51' ' ' GLU . 10.3 t -153.07 -152.41 0.42 Allowed 'General case' 0 CA--C 1.533 0.307 0 O-C-N 120.93 -1.106 . . . . 0.0 110.311 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.605 ' N ' HG23 ' A' ' 48' ' ' THR . 85.3 m -150.0 -43.9 0.13 Allowed 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -67.61 2.55 1.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.558 -0.714 . . . . 0.0 110.022 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.816 ' HG3' HG21 ' A' ' 48' ' ' THR . 44.5 mt-10 -103.31 58.5 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 120.981 -1.075 . . . . 0.0 108.724 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 4.2 p-10 41.06 72.51 0.16 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.163 0.506 . . . . 0.0 110.757 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.45 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 11.1 t-20 59.75 84.87 0.11 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.665 0.745 . . . . 0.0 109.314 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.13 -35.75 89.24 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 107.676 -2.169 . . . . 0.0 107.676 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.458 ' HA3' HD23 ' A' ' 32' ' ' LEU . . . -159.18 -4.45 0.06 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 107.379 -2.288 . . . . 0.0 107.379 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ASP . 96.5 m -111.62 119.24 38.02 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.635 -0.921 . . . . 0.0 109.419 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.468 ' HB3' ' HB2' ' A' ' 60' ' ' ALA . 24.4 t0 -27.43 138.89 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.433 0.635 . . . . 0.0 111.934 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.61 -32.7 59.22 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 121.352 -0.842 . . . . 0.0 109.094 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.418 ' OD1' HD11 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -86.68 -11.46 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.322 -0.861 . . . . 0.0 109.041 179.701 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . . . -85.76 149.26 25.4 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.284 -0.885 . . . . 0.0 109.376 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -78.88 105.22 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.238 -0.913 . . . . 0.0 109.205 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.1 t -83.91 125.39 31.96 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.359 -0.838 . . . . 0.0 109.424 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.08 141.29 52.12 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.222 -0.924 . . . . 0.0 109.536 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -151.88 -2.79 0.29 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.237 -0.914 . . . . 0.0 109.699 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 . . . . . 0 CA--C 1.53 0.208 0 O-C-N 121.159 -0.963 . . . . 0.0 109.509 -179.882 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.198 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -105.89 125.29 50.81 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.255 -0.903 . . . . 0.0 109.466 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.2 mm -113.66 148.1 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 O-C-N 121.281 -0.887 . . . . 0.0 109.203 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.73 150.33 36.05 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.139 -0.976 . . . . 0.0 109.651 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 m -120.34 132.22 55.19 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.368 -0.832 . . . . 0.0 109.117 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -134.56 94.32 3.18 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.153 -0.967 . . . . 0.0 109.733 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.6 m -61.15 119.55 8.6 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.208 -0.933 . . . . 0.0 109.408 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 t -76.52 13.32 1.0 Allowed 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.314 -0.866 . . . . 0.0 109.65 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -83.0 168.47 22.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 O-C-N 121.227 -0.921 . . . . 0.0 109.166 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -82.8 128.05 5.06 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 124.86 3.707 . . . . 0.0 109.289 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 72.28 -52.1 0.7 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.403 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.3 OUTLIER 61.58 155.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.475 -0.766 . . . . 0.0 110.315 179.116 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.654 ' H ' ' H ' ' A' ' 93' ' ' SER . 56.0 m-85 -152.31 105.27 2.77 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -86.11 123.92 2.41 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 124.84 3.693 . . . . 0.0 110.246 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 mt -82.85 -23.08 33.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CD2' HD11 ' A' ' 90' ' ' ILE . 74.1 m-85 -128.19 -112.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.48 28.92 8.39 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.569 -0.707 . . . . 0.0 109.9 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.86 -9.83 27.56 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 119.608 -1.282 . . . . 0.0 110.375 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.578 HD11 ' CD2' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -55.5 -30.22 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 O-C-N 121.062 -1.258 . . . . 0.0 108.762 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.488 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 23.4 m-85 -132.4 161.54 33.37 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.368 -0.833 . . . . 0.0 108.886 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 33.5 m -135.84 162.0 34.04 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.141 -0.974 . . . . 0.0 109.282 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.654 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER . . . . . 0 CA--C 1.531 0.228 0 O-C-N 121.442 -0.786 . . . . 0.0 109.463 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.83 ' HB2' HD11 ' A' ' 86' ' ' LEU . 2.2 m170 . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -108.92 -0.43 19.7 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.36 -0.838 . . . . 0.0 109.235 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 m 63.23 172.35 0.16 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.306 -0.871 . . . . 0.0 109.493 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.95 127.69 68.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 121.304 -0.873 . . . . 0.0 109.369 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 58.37 38.66 25.83 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.282 -0.886 . . . . 0.0 109.397 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HG3' ' H ' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -95.68 -161.61 0.88 Allowed 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.273 -0.892 . . . . 0.0 109.462 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.464 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -143.31 19.88 1.9 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.318 -0.864 . . . . 0.0 109.348 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 t -54.55 114.18 6.38 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 121.304 -0.873 . . . . 0.0 109.183 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -84.41 -174.71 1.9 Allowed 'Trans proline' 0 N--CA 1.483 0.889 0 C-N-CA 124.786 3.657 . . . . 0.0 110.951 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -68.13 176.62 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.521 -0.737 . . . . 0.0 109.386 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.656 ' HA ' HD12 ' A' ' 31' ' ' LEU . 71.9 m-20 55.18 22.99 5.01 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.214 -0.929 . . . . 0.0 108.868 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 p -163.45 127.14 2.77 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.5 -0.75 . . . . 0.0 109.219 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.84 149.86 19.31 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -81.54 168.86 17.78 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.187 -1.184 . . . . 0.0 109.365 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -158.2 153.93 26.49 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 6.5 ttp180 179.19 -144.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' A' ' 5' ' ' HIS . 16.6 m80 59.86 4.71 0.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.466 -0.771 . . . . 0.0 110.89 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 mt -120.38 7.11 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 120.92 -1.113 . . . . 0.0 108.371 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' H ' ' H ' ' A' ' 24' ' ' GLU . 44.9 p-10 -179.37 9.72 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' H ' ' H ' ' A' ' 23' ' ' ASP . 0.3 OUTLIER 67.82 9.13 6.9 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.959 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -177.55 52.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.072 -1.017 . . . . 0.0 109.935 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 20' ' ' ARG . 69.5 mm-40 -55.54 -90.06 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.406 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 170.78 -178.11 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.676 -0.64 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 t -107.94 108.24 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.319 -0.863 . . . . 0.0 108.877 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -87.48 161.25 17.92 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.232 -0.917 . . . . 0.0 109.237 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.432 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 39.7 m -77.71 164.85 24.9 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 120.977 -1.077 . . . . 0.0 109.274 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.913 HD21 ' CE1' ' A' ' 87' ' ' PHE . 4.8 mt -72.21 -170.77 0.66 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.181 -0.949 . . . . 0.0 109.759 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.573 ' HG ' HD13 ' A' ' 90' ' ' ILE . 5.7 mt -73.29 152.85 40.81 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.273 -0.892 . . . . 0.0 109.208 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 58.76 16.66 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.182 -0.949 . . . . 0.0 109.315 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.403 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 10.5 m-85 -123.01 113.56 19.22 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.404 -0.81 . . . . 0.0 109.205 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -98.63 -179.98 4.49 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.171 -0.955 . . . . 0.0 109.159 179.809 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -98.13 141.11 31.47 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.305 -0.872 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.36 126.03 1.91 Allowed 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.16 -0.962 . . . . 0.0 109.437 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.26 8.87 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -123.57 13.75 9.42 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.25 -1.147 . . . . 0.0 109.405 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.1 147.75 30.91 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.248 -0.907 . . . . 0.0 109.107 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.1 m -75.3 127.44 33.17 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.104 -0.997 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.469 HG22 ' HG3' ' A' ' 35' ' ' LYS . 2.5 m -99.28 -179.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 O-C-N 121.101 -0.999 . . . . 0.0 109.786 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.23 140.13 40.03 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.572 -0.705 . . . . 0.0 109.651 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -129.87 68.12 80.31 Favored Pre-proline 0 C--N 1.331 -0.204 0 O-C-N 121.327 -0.858 . . . . 0.0 109.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -33.41 -34.32 0.06 OUTLIER 'Trans proline' 0 N--CA 1.482 0.802 1 C-N-CA 126.019 4.479 . . . . 0.0 110.856 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -123.45 89.35 51.19 Favored Pre-proline 0 CA--C 1.532 0.284 0 O-C-N 121.144 -0.973 . . . . 0.0 109.746 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -90.13 173.5 3.37 Favored 'Trans proline' 0 N--CA 1.478 0.609 1 C-N-CA 125.455 4.103 . . . . 0.0 110.073 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.648 HG23 ' HG2' ' A' ' 51' ' ' GLU . 12.8 t -153.32 -175.67 5.45 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.099 -1.0 . . . . 0.0 109.827 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.8 m -108.0 -29.9 8.75 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -56.87 -18.27 12.51 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.401 -0.812 . . . . 0.0 108.914 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.648 ' HG2' HG23 ' A' ' 48' ' ' THR . 6.4 pt-20 -74.19 65.9 1.21 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 41.82 54.28 3.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.204 0.526 . . . . 0.0 111.205 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.531 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.3 OUTLIER 61.59 66.66 0.83 Allowed 'General case' 0 N--CA 1.462 0.146 0 O-C-N 120.984 -1.073 . . . . 0.0 108.916 179.294 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.13 -50.47 5.12 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.48 -20.52 76.73 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.531 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 0.9 OUTLIER -112.28 145.66 39.59 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.069 -1.253 . . . . 0.0 110.462 -179.753 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' HB3' ' CA ' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -52.77 -91.19 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 O-C-N 121.443 -0.786 . . . . 0.0 109.839 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.04 -25.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.339 -0.851 . . . . 0.0 109.427 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.63 -13.85 13.24 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.227 -0.921 . . . . 0.0 109.563 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 171.56 9.07 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.163 -0.961 . . . . 0.0 109.536 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.4 121.1 41.32 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.303 -0.873 . . . . 0.0 109.431 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.98 147.97 23.45 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.247 -0.908 . . . . 0.0 109.432 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.84 152.21 26.57 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.186 -0.946 . . . . 0.0 109.662 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.61 0.47 5.52 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.252 -0.905 . . . . 0.0 109.519 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 C--N 1.33 -0.249 0 O-C-N 121.263 -0.898 . . . . 0.0 109.461 -179.951 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.37 105.33 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.25 -0.906 . . . . 0.0 109.299 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -143.86 133.56 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 O-C-N 121.286 -0.884 . . . . 0.0 109.423 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 160.29 38.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.227 -0.921 . . . . 0.0 109.536 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.2 m -152.22 147.35 26.29 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.311 -0.868 . . . . 0.0 109.666 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -147.29 104.15 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.262 -0.899 . . . . 0.0 109.38 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.0 m -69.36 131.6 45.08 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.296 -0.877 . . . . 0.0 109.429 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 79' ' ' THR . 6.4 t -93.13 28.39 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.229 -0.919 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -84.16 151.55 60.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 121.244 -0.91 . . . . 0.0 109.178 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.44 ' HB2' ' H ' ' A' ' 82' ' ' ASP . 3.5 Cg_exo -38.61 -93.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.482 0.846 0 C-N-CA 125.112 3.875 . . . . 0.0 109.994 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.44 ' H ' ' HB2' ' A' ' 81' ' ' PRO . 3.6 t0 -83.92 -8.39 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 120.724 -1.235 . . . . 0.0 107.791 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.6 OUTLIER 61.52 151.94 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 109.946 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 83' ' ' SER . 61.7 m-85 -155.04 88.18 3.22 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 120.994 -1.066 . . . . 0.0 108.862 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -90.12 133.0 1.94 Allowed 'Trans proline' 0 N--CA 1.476 0.454 1 C-N-CA 125.707 4.272 . . . . 0.0 110.7 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.83 HD11 ' HB2' ' A' ' 5' ' ' HIS . 98.7 mt -79.7 -9.08 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.913 ' CE1' HD21 ' A' ' 31' ' ' LEU . 86.4 m-85 -149.84 -113.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -105.18 21.88 16.35 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.446 -0.784 . . . . 0.0 109.957 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.51 48.12 0.76 Allowed Glycine 0 CA--C 1.53 0.979 0 C-N-CA 119.538 -1.315 . . . . 0.0 110.402 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.689 HD12 ' HE2' ' A' ' 91' ' ' PHE . 0.7 OUTLIER -127.57 7.48 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 121.118 -1.225 . . . . 0.0 109.186 179.246 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.689 ' HE2' HD12 ' A' ' 90' ' ' ILE . 96.8 m-85 -148.13 22.18 1.08 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.232 -0.917 . . . . 0.0 109.437 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.6 134.42 41.28 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.331 -0.855 . . . . 0.0 109.599 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 O-C-N 121.176 -0.953 . . . . 0.0 109.574 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -103.22 148.49 25.74 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.224 -0.923 . . . . 0.0 109.458 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.9 m -89.97 178.53 6.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.244 -0.91 . . . . 0.0 109.434 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 9' ' ' LYS . 3.2 m -105.03 -110.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 O-C-N 121.179 -0.951 . . . . 0.0 109.366 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' H ' HG23 ' A' ' 8' ' ' VAL . 2.2 ptmm? -96.5 14.44 24.62 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.22 -0.925 . . . . 0.0 109.316 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' CG ' ' H ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -59.98 -179.46 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.241 -0.912 . . . . 0.0 109.409 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.453 ' H ' ' CG ' ' A' ' 10' ' ' LYS . 1.6 pt20 -141.92 135.93 29.92 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.21 -0.931 . . . . 0.0 109.661 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -127.32 138.37 32.63 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -81.12 -174.61 2.29 Favored 'Trans proline' 0 N--CA 1.483 0.872 0 C-N-CA 124.21 3.273 . . . . 0.0 110.926 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.29 172.26 12.76 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.873 ' HA ' HD12 ' A' ' 31' ' ' LEU . 3.6 m-20 56.01 21.76 5.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.094 -1.004 . . . . 0.0 108.769 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 p -157.27 137.41 12.67 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.45 -0.781 . . . . 0.0 109.263 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.36 165.47 12.14 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.98 160.91 16.13 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.155 -1.203 . . . . 0.0 109.744 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -170.01 140.06 1.95 Allowed 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.283 -0.886 . . . . 0.0 109.338 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -92.02 116.25 28.76 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.187 -0.946 . . . . 0.0 109.294 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.407 ' CG ' ' HG2' ' A' ' 25' ' ' ARG . 7.9 m170 -54.25 140.71 32.01 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.33 -0.856 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 22' ' ' LEU . 6.7 mp -67.54 -2.22 6.24 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.298 -0.876 . . . . 0.0 109.367 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.47 33.39 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.281 -0.887 . . . . 0.0 109.228 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.18 61.97 2.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.285 -0.884 . . . . 0.0 109.498 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HG2' ' CG ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -150.94 124.97 9.26 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.219 -0.926 . . . . 0.0 109.132 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -87.92 118.69 27.64 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.124 -0.985 . . . . 0.0 109.798 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.84 165.41 31.59 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.275 -0.891 . . . . 0.0 109.369 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.49 125.53 44.38 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.279 -0.888 . . . . 0.0 108.86 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 -179.22 4.49 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.446 -0.784 . . . . 0.0 109.706 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 8.4 m -83.35 166.48 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.289 -0.882 . . . . 0.0 109.926 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.873 HD12 ' HA ' ' A' ' 15' ' ' ASN . 16.4 mt -76.49 -167.21 0.76 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.364 -0.835 . . . . 0.0 109.807 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.532 ' CD1' HG22 ' A' ' 90' ' ' ILE . 1.1 mt -73.43 151.98 40.94 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.296 -0.878 . . . . 0.0 109.386 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 58.22 17.4 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.29 -0.882 . . . . 0.0 109.319 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 11.6 m-85 -124.88 116.96 23.05 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.419 -0.801 . . . . 0.0 109.087 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.547 ' HZ3' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -96.46 -176.59 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -122.49 138.71 54.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.506 -0.746 . . . . 0.0 109.299 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -155.08 87.91 1.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.107 -0.996 . . . . 0.0 109.699 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.01 -104.27 2.43 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.89 2.78 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.238 -1.154 . . . . 0.0 109.575 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -137.19 145.85 44.19 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.207 -0.933 . . . . 0.0 109.424 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.4 m -86.47 139.92 30.43 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.227 -0.92 . . . . 0.0 109.543 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.47 -179.43 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 O-C-N 121.279 -0.888 . . . . 0.0 109.484 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.35 142.28 48.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.265 -0.897 . . . . 0.0 109.398 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -120.84 128.87 25.56 Favored Pre-proline 0 CA--C 1.537 0.453 0 O-C-N 121.179 -0.95 . . . . 0.0 109.447 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -92.17 -16.64 1.04 Allowed 'Trans proline' 0 N--CA 1.478 0.608 0 C-N-CA 124.76 3.64 . . . . 0.0 110.029 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -145.39 97.99 4.66 Favored Pre-proline 0 CA--C 1.534 0.327 0 O-C-N 121.347 -0.845 . . . . 0.0 109.153 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -88.09 123.19 1.64 Allowed 'Trans proline' 0 N--CA 1.478 0.599 0 C-N-CA 125.064 3.843 . . . . 0.0 110.646 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 49' ' ' CYS . 54.9 m -89.87 163.25 15.08 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 121.399 -0.813 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.519 ' N ' HG22 ' A' ' 48' ' ' THR . 98.5 m -112.78 -38.45 4.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.197 -0.939 . . . . 0.0 108.574 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.38 -8.07 5.43 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -81.88 -164.09 0.75 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -79.64 64.93 4.65 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.049 -1.032 . . . . 0.0 108.85 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 60.2 83.48 0.14 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.19 -35.81 55.7 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 108.291 -1.924 . . . . 0.0 108.291 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.447 ' H ' ' H ' ' A' ' 56' ' ' CYS . . . -169.89 -1.09 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 107.562 -2.215 . . . . 0.0 107.562 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.447 ' H ' ' H ' ' A' ' 55' ' ' GLY . 75.2 m -112.29 122.59 48.16 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.583 -0.951 . . . . 0.0 109.051 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 56' ' ' CYS . 0.0 OUTLIER -25.83 127.25 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.351 0.595 . . . . 0.0 111.855 -179.005 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.43 -25.41 15.88 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.577 -0.702 . . . . 0.0 109.747 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.482 ' OD1' HD21 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -98.6 -3.67 35.71 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 121.208 -0.932 . . . . 0.0 109.685 -179.75 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . . . -89.08 167.13 13.39 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.087 -1.008 . . . . 0.0 109.716 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -88.83 120.13 29.95 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.289 -0.882 . . . . 0.0 108.813 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.04 148.34 22.26 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.226 -0.921 . . . . 0.0 109.931 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.611 ' OG1' HG23 ' A' ' 75' ' ' THR . 0.5 OUTLIER -143.08 140.27 30.83 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.243 -0.911 . . . . 0.0 109.272 179.49 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.51 0.91 3.36 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.371 -0.831 . . . . 0.0 109.542 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.331 -0.238 0 O-C-N 121.233 -0.917 . . . . 0.0 109.451 179.872 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.66 106.34 18.27 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.196 -0.94 . . . . 0.0 109.501 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.545 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.4 mm -145.58 107.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 O-C-N 121.245 -0.91 . . . . 0.0 109.339 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.611 HG23 ' OG1' ' A' ' 63' ' ' THR . 1.5 t -113.8 168.97 9.34 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.108 -0.995 . . . . 0.0 109.882 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.2 m -127.85 156.99 41.67 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.524 -0.735 . . . . 0.0 109.302 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -159.47 91.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.266 -0.896 . . . . 0.0 109.413 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 83' ' ' SER . 72.1 m -54.14 135.21 43.99 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.229 -0.919 . . . . 0.0 109.264 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.8 t -90.59 -19.57 23.56 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.231 -0.918 . . . . 0.0 109.797 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -54.99 170.58 0.35 Allowed Pre-proline 0 CA--C 1.532 0.277 0 O-C-N 121.18 -0.95 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -88.52 -54.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.478 0.581 1 C-N-CA 125.409 4.073 . . . . 0.0 110.239 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.82 21.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.332 -0.855 . . . . 0.0 109.042 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.409 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -82.67 131.33 35.21 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.529 -0.732 . . . . 0.0 109.541 -179.71 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.443 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 20.5 m-85 -145.69 95.97 4.83 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 27.8 Cg_exo -29.8 106.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.484 0.927 1 C-N-CA 125.686 4.257 . . . . 0.0 111.594 -178.555 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.661 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -66.39 -63.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 179.073 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.748 ' CE2' HD21 ' A' ' 31' ' ' LEU . 14.0 m-85 -81.09 -116.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.99 29.88 7.38 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.85 22.78 7.8 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.532 HG22 ' CD1' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -96.93 -36.85 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.18 -1.188 . . . . 0.0 109.755 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.661 ' CE2' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -143.93 110.35 5.5 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.085 -1.009 . . . . 0.0 109.18 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.5 m -82.98 158.83 22.4 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 120.957 -1.089 . . . . 0.0 109.525 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 O-C-N 121.272 -0.893 . . . . 0.0 109.452 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.493 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 9.7 m-70 . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -79.6 14.55 1.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.242 -0.911 . . . . 0.0 109.409 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m 52.63 -153.11 0.24 Allowed 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.51 -0.744 . . . . 0.0 109.848 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 8' ' ' VAL . 18.1 t -120.38 38.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.33 -0.856 . . . . 0.0 109.24 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.53 51.35 1.52 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.257 -0.902 . . . . 0.0 109.203 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.671 ' HZ1' ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -80.91 -121.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.161 -0.962 . . . . 0.0 109.725 -179.788 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -135.64 122.79 21.59 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.087 -1.008 . . . . 0.0 110.01 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 23.5 t -151.5 135.43 9.58 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 18.0 Cg_endo -88.03 -171.53 0.67 Allowed 'Trans proline' 0 N--CA 1.482 0.834 0 C-N-CA 124.542 3.495 . . . . 0.0 111.309 -179.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -76.25 175.65 8.84 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.684 ' HA ' HD12 ' A' ' 31' ' ' LEU . 4.1 m-20 55.62 21.13 4.3 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.197 -0.939 . . . . 0.0 108.941 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.91 146.9 26.59 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.457 -0.777 . . . . 0.0 109.164 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.28 169.24 12.85 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 t -92.16 145.65 24.34 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.219 -1.165 . . . . 0.0 110.031 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 2.7 t80 -155.51 118.21 4.25 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.379 -0.826 . . . . 0.0 108.803 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.493 ' HE ' ' HA ' ' A' ' 5' ' ' HIS . 16.4 ptp180 -83.52 14.84 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.182 -0.949 . . . . 0.0 109.721 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.51 151.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.641 0.734 . . . . 0.0 110.116 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.913 ' H ' HD12 ' A' ' 22' ' ' LEU . 2.1 mp -80.34 3.14 22.09 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.134 -0.979 . . . . 0.0 108.609 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.96 24.56 11.94 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.459 -0.775 . . . . 0.0 109.739 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.1 58.26 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.096 -1.003 . . . . 0.0 109.551 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.05 113.84 11.11 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.193 -0.942 . . . . 0.0 109.215 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.39 123.34 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.173 -0.954 . . . . 0.0 109.283 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -154.9 159.21 40.3 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.12 -0.987 . . . . 0.0 109.912 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.671 ' N ' ' HZ1' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -119.15 105.93 11.87 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 2.1 ttmm -82.44 177.68 8.62 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.411 -0.806 . . . . 0.0 110.066 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.475 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 21.7 m -94.93 167.68 11.26 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.228 -0.92 . . . . 0.0 109.147 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 15' ' ' ASN . 12.3 mt -84.27 -172.36 4.12 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.159 -0.963 . . . . 0.0 109.36 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 88' ' ' ASP . 0.9 OUTLIER -69.56 155.56 40.29 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.176 -0.952 . . . . 0.0 109.164 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 61.54 13.24 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.258 -0.901 . . . . 0.0 109.287 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 15' ' ' ASN . 12.1 m-85 -128.28 116.27 19.59 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.392 -0.817 . . . . 0.0 109.243 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HG3' HG23 ' A' ' 42' ' ' VAL . 1.1 ptpt -99.11 -169.97 1.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.286 -0.884 . . . . 0.0 109.307 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.0 150.79 26.12 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.719 -0.613 . . . . 0.0 109.394 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.31 113.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.231 -0.918 . . . . 0.0 109.508 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.54 -94.98 0.24 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -140.1 2.63 1.93 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.249 -1.148 . . . . 0.0 109.428 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -131.9 139.46 48.77 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.9 m -69.69 135.91 50.42 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.191 -0.943 . . . . 0.0 109.296 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.569 HG23 ' HG3' ' A' ' 35' ' ' LYS . 27.6 m -109.13 179.31 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 121.313 -0.867 . . . . 0.0 109.536 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.37 120.62 25.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.278 -0.889 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.471 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.8 t-20 -76.14 128.88 81.95 Favored Pre-proline 0 CA--C 1.536 0.423 0 O-C-N 121.333 -0.854 . . . . 0.0 109.399 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.2 Cg_endo -90.53 -16.21 1.67 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.843 3.695 . . . . 0.0 110.121 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.25 58.17 1.47 Allowed Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 121.349 -0.844 . . . . 0.0 109.511 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -38.37 125.9 0.92 Allowed 'Trans proline' 0 N--CA 1.483 0.871 1 C-N-CA 125.383 4.055 . . . . 0.0 110.367 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.6 t -126.41 -167.38 1.71 Allowed 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.133 -0.979 . . . . 0.0 109.317 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -109.94 -27.22 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.289 -0.882 . . . . 0.0 108.839 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -69.7 0.74 5.07 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.405 -0.809 . . . . 0.0 108.85 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -98.75 51.98 0.98 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.72 72.14 0.18 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.263 0.554 . . . . 0.0 110.491 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 4.6 t30 59.96 85.24 0.11 Allowed 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.393 -0.817 . . . . 0.0 109.131 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.26 43.8 2.66 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 107.905 -2.078 . . . . 0.0 107.905 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.441 ' HA2' HG22 ' A' ' 90' ' ' ILE . . . 129.12 -18.78 5.52 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 107.84 -2.104 . . . . 0.0 107.84 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASP . 33.3 m -111.22 112.04 23.54 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.524 -0.986 . . . . 0.0 109.149 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 18.0 t0 -30.11 141.39 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.383 0.611 . . . . 0.0 112.003 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.81 -28.75 51.65 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.799 ' HB2' HD21 ' A' ' 22' ' ' LEU . 1.3 t0 -91.68 -15.78 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.406 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -86.14 159.38 19.53 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 121.358 -0.839 . . . . 0.0 109.585 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -88.2 156.84 19.01 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.337 -0.852 . . . . 0.0 109.334 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.4 t -126.85 141.54 51.79 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.173 -0.954 . . . . 0.0 109.429 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.03 139.93 47.47 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.266 -0.896 . . . . 0.0 109.436 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -130.81 16.08 5.27 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.335 -0.853 . . . . 0.0 109.461 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.33 -0.255 0 O-C-N 121.462 -0.773 . . . . 0.0 109.56 -179.69 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -101.61 122.32 43.64 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.168 -0.957 . . . . 0.0 109.552 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 74' ' ' ILE . 0.9 OUTLIER -116.17 143.77 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 121.368 -0.833 . . . . 0.0 109.005 179.85 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.88 151.62 38.16 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.185 -0.947 . . . . 0.0 109.609 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.2 m -128.13 145.07 51.13 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.303 -0.873 . . . . 0.0 109.368 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.82 113.38 5.33 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.375 -0.828 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -81.39 126.32 31.48 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.234 -0.916 . . . . 0.0 109.28 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.75 -18.55 32.71 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.236 -0.915 . . . . 0.0 109.491 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -55.07 168.58 0.51 Allowed Pre-proline 0 C--N 1.329 -0.291 0 O-C-N 121.244 -0.91 . . . . 0.0 109.34 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.401 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 13.1 Cg_endo -88.03 -42.99 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 125.191 3.928 . . . . 0.0 110.157 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.401 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 32.1 m-20 -82.23 20.49 1.04 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.22 -0.925 . . . . 0.0 109.009 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 55.9 p -53.77 101.46 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 121.526 -0.734 . . . . 0.0 109.532 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -133.44 68.28 76.66 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 121.329 -0.857 . . . . 0.0 109.073 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -30.68 116.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.481 0.771 1 C-N-CA 126.367 4.711 . . . . 0.0 111.158 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.1 mt -77.33 -8.44 57.66 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -144.71 -109.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.418 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -108.98 17.08 22.11 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 121.62 -0.675 . . . . 0.0 109.728 179.577 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.3 -8.22 15.86 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 119.663 -1.256 . . . . 0.0 110.287 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.811 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.9 pt -59.94 -22.69 24.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 O-C-N 120.91 -1.347 . . . . 0.0 109.495 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.811 ' CE2' HD12 ' A' ' 90' ' ' ILE . 33.1 m-85 -140.84 107.24 5.27 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.115 -0.991 . . . . 0.0 109.659 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.6 m -105.34 128.07 53.29 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.243 -0.91 . . . . 0.0 109.288 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 O-C-N 121.2 -0.938 . . . . 0.0 109.439 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.486 ' HB2' HD11 ' A' ' 86' ' ' LEU . 0.7 OUTLIER . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -76.95 -161.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 171.1 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.284 -0.885 . . . . 0.0 109.264 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 t -103.55 93.7 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 121.176 -0.952 . . . . 0.0 109.56 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.36 77.89 0.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.37 -0.831 . . . . 0.0 109.403 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.533 ' HZ1' ' CB ' ' A' ' 28' ' ' CYS . 4.3 tttp -149.33 -50.95 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.254 -0.904 . . . . 0.0 109.437 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 56.34 -176.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.191 -0.943 . . . . 0.0 109.173 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 178.98 162.68 0.71 Allowed Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 121.057 -1.027 . . . . 0.0 109.484 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -37.42 167.74 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 1 C-N-CA 126.331 4.688 . . . . 0.0 111.923 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -83.14 177.8 8.4 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.198 -0.938 . . . . 0.0 108.906 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.695 ' HA ' HD12 ' A' ' 31' ' ' LEU . 13.9 m120 56.11 22.4 5.95 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 121.06 -1.025 . . . . 0.0 108.577 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.405 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 28.4 p -153.94 131.1 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.87 166.47 16.68 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 t -78.57 164.43 24.68 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.436 -1.038 . . . . 0.0 109.539 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 6.1 t80 -170.29 105.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.263 -0.898 . . . . 0.0 109.069 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 38.1 ttp85 -105.9 77.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.17 -0.956 . . . . 0.0 109.339 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 88.3 m-70 -155.41 -178.75 7.49 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.418 -0.801 . . . . 0.0 109.911 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.4 mt 70.9 -46.07 0.63 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.068 0.461 . . . . 0.0 110.222 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -117.76 13.26 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.161 -0.962 . . . . 0.0 108.646 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 53.62 22.87 3.26 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.24 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -127.96 154.52 45.48 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.349 -0.845 . . . . 0.0 109.6 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.18 127.66 33.38 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.37 -0.831 . . . . 0.0 109.66 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -140.24 179.17 6.8 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.316 -0.865 . . . . 0.0 109.38 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.533 ' CB ' ' HZ1' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -135.59 109.65 8.25 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.297 -0.877 . . . . 0.0 109.19 179.813 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 9.1 tttt -97.7 161.66 13.65 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.273 -0.892 . . . . 0.0 108.825 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -76.73 158.64 30.81 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 120.96 -1.088 . . . . 0.0 109.85 -179.664 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 15' ' ' ASN . 43.3 mt -73.42 -164.89 0.22 Allowed 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.424 -0.798 . . . . 0.0 109.86 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.76 153.23 41.22 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.415 -0.803 . . . . 0.0 109.508 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 61.95 11.73 4.39 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.282 -0.886 . . . . 0.0 109.411 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.446 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 11.9 m-85 -123.17 120.11 32.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.48 -0.763 . . . . 0.0 108.965 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -103.27 -174.27 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.13 -0.981 . . . . 0.0 109.589 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.81 146.68 28.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.482 -0.761 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -151.02 78.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.262 -0.899 . . . . 0.0 109.435 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.71 -102.23 2.55 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -122.98 7.91 9.28 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.207 -1.172 . . . . 0.0 109.328 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -139.56 129.57 25.0 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.209 -0.932 . . . . 0.0 109.461 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.2 m -72.74 145.64 46.98 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.259 -0.901 . . . . 0.0 109.245 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 m -120.79 179.93 2.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 O-C-N 121.135 -0.978 . . . . 0.0 109.556 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.55 121.14 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.287 -0.883 . . . . 0.0 109.46 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -86.82 122.08 71.58 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 121.338 -0.851 . . . . 0.0 109.326 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -90.58 -16.98 1.49 Allowed 'Trans proline' 0 N--CA 1.479 0.62 0 C-N-CA 124.713 3.609 . . . . 0.0 110.277 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.01 87.29 6.24 Favored Pre-proline 0 CA--C 1.532 0.276 0 O-C-N 121.239 -0.913 . . . . 0.0 109.408 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -90.98 151.15 3.89 Favored 'Trans proline' 0 N--CA 1.476 0.495 1 C-N-CA 125.504 4.136 . . . . 0.0 110.329 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.772 HG22 ' HG3' ' A' ' 51' ' ' GLU . 9.5 t -144.77 -129.09 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.191 -0.943 . . . . 0.0 109.51 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.635 ' N ' HG23 ' A' ' 48' ' ' THR . 3.2 m -137.02 -36.6 0.67 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.27 -1.77 6.91 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.772 ' HG3' HG22 ' A' ' 48' ' ' THR . 5.1 mm-40 -90.96 50.72 1.83 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.92 70.11 0.31 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.149 0.499 . . . . 0.0 110.152 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 5.2 t-20 60.75 81.26 0.19 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.91 45.69 3.51 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.498 ' HA2' HG22 ' A' ' 90' ' ' ILE . . . 121.83 -15.01 9.04 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 108.206 -1.958 . . . . 0.0 108.206 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ASP . 26.5 m -110.84 110.05 20.5 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.431 -1.041 . . . . 0.0 108.79 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.457 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 17.2 t0 -27.73 138.08 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 121.361 0.6 . . . . 0.0 111.888 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.53 -30.2 40.5 Favored 'General case' 0 CA--C 1.528 0.126 0 O-C-N 121.477 -0.765 . . . . 0.0 109.042 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -90.23 -15.84 30.57 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.494 -0.754 . . . . 0.0 109.043 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -86.58 166.12 15.66 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.303 -0.873 . . . . 0.0 109.462 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -91.09 169.0 11.23 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.401 -0.812 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 51.3 t -136.69 144.52 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.288 -0.883 . . . . 0.0 109.381 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.61 140.11 48.07 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.192 -0.942 . . . . 0.0 109.308 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.13 -6.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.341 -0.85 . . . . 0.0 109.48 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 . . . . . 0 C--N 1.33 -0.281 0 O-C-N 121.284 -0.885 . . . . 0.0 109.319 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -129.35 107.31 9.42 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.344 -0.848 . . . . 0.0 109.456 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.435 HD11 ' HA ' ' A' ' 48' ' ' THR . 0.4 OUTLIER -144.91 148.59 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 121.277 -0.889 . . . . 0.0 109.536 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 m -137.17 163.61 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.297 -0.877 . . . . 0.0 109.397 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.7 m -131.84 138.31 48.44 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.265 -0.897 . . . . 0.0 109.529 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -135.47 98.43 3.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.333 -0.854 . . . . 0.0 109.324 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.29 83.68 1.9 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.228 -0.92 . . . . 0.0 109.605 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 t -81.36 39.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.222 -0.924 . . . . 0.0 109.08 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 7.8 mttt -106.44 175.85 1.91 Allowed Pre-proline 0 C--N 1.329 -0.302 0 O-C-N 121.416 -0.803 . . . . 0.0 109.318 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 11.3 Cg_endo -87.43 138.42 4.62 Favored 'Trans proline' 0 N--CA 1.476 0.475 0 C-N-CA 125.239 3.959 . . . . 0.0 109.805 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.07 5.36 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.338 -0.851 . . . . 0.0 109.306 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.7 p -65.22 110.53 2.6 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.288 -0.882 . . . . 0.0 109.331 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -131.5 79.9 68.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.283 -0.885 . . . . 0.0 109.539 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -30.8 112.23 0.04 OUTLIER 'Trans proline' 0 N--CA 1.482 0.824 1 C-N-CA 125.978 4.452 . . . . 0.0 111.221 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 5' ' ' HIS . 14.0 mt -73.03 -34.77 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CD2' HD11 ' A' ' 90' ' ' ILE . 57.9 m-85 -113.67 -105.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.02 23.9 12.15 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.615 -0.678 . . . . 0.0 109.909 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 114.97 -14.28 19.4 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 119.64 -1.267 . . . . 0.0 110.432 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.847 HD12 ' CE2' ' A' ' 91' ' ' PHE . 9.6 pt -56.87 -28.22 27.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 O-C-N 120.905 -1.35 . . . . 0.0 109.275 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.847 ' CE2' HD12 ' A' ' 90' ' ' ILE . 26.3 m-85 -136.39 104.64 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.258 -0.901 . . . . 0.0 109.513 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.1 m -113.62 96.8 6.06 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.181 -0.949 . . . . 0.0 109.36 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 O-C-N 121.196 -0.94 . . . . 0.0 109.365 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.6 m80 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -103.91 -5.32 22.41 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.256 -0.902 . . . . 0.0 109.385 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 65.54 149.98 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.235 -0.916 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.58 HG12 ' N ' ' A' ' 9' ' ' LYS . 79.8 t -57.4 -96.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 O-C-N 121.359 -0.838 . . . . 0.0 109.675 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.58 ' N ' HG12 ' A' ' 8' ' ' VAL . 2.6 tttm -124.83 -75.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.222 -0.924 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.527 ' HZ1' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER 71.56 -45.4 0.62 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.77 -0.581 . . . . 0.0 109.81 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.48 56.8 1.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.008 -1.058 . . . . 0.0 109.533 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m -66.29 174.35 1.78 Allowed Pre-proline 0 CA--C 1.532 0.286 0 O-C-N 121.267 -0.896 . . . . 0.0 109.022 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -87.27 -178.24 2.38 Favored 'Trans proline' 0 N--CA 1.478 0.594 0 C-N-CA 125.247 3.964 . . . . 0.0 110.477 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.08 174.51 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.284 -0.885 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.413 ' HA ' HD12 ' A' ' 31' ' ' LEU . 58.4 m-20 56.41 19.74 4.26 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.205 -0.934 . . . . 0.0 109.284 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 1.9 p -156.0 136.31 13.05 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.326 -0.859 . . . . 0.0 109.346 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.23 161.8 12.84 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.92 139.31 39.21 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.376 -1.073 . . . . 0.0 109.32 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.503 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 43.6 t80 -143.75 131.99 21.95 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.155 -0.965 . . . . 0.0 109.542 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -83.89 116.04 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.253 -0.904 . . . . 0.0 109.093 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.02 139.87 33.21 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.349 -0.844 . . . . 0.0 109.556 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.944 ' H ' HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -65.69 -8.33 20.25 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.291 -0.881 . . . . 0.0 109.012 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.11 30.35 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.379 -0.826 . . . . 0.0 109.391 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 63.25 39.11 9.9 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.221 -0.924 . . . . 0.0 109.56 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -127.74 177.66 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.248 -0.907 . . . . 0.0 109.374 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -132.52 136.9 46.94 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.205 -0.935 . . . . 0.0 109.568 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.527 ' N ' ' HZ1' ' A' ' 10' ' ' LYS . 2.3 mt-10 -162.3 159.56 25.66 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.299 -0.876 . . . . 0.0 109.298 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.7 m -105.27 120.24 41.06 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.242 -0.911 . . . . 0.0 109.256 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 136.74 43.44 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.167 -0.958 . . . . 0.0 109.099 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 3.3 m -55.14 155.07 5.03 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.218 -0.926 . . . . 0.0 109.63 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 15' ' ' ASN . 35.3 mt -68.26 -166.01 0.06 Allowed 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.254 -0.904 . . . . 0.0 109.832 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.514 ' CD1' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -72.95 158.69 34.99 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.341 -0.849 . . . . 0.0 109.594 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 57.23 17.55 3.68 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.294 -0.879 . . . . 0.0 109.399 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 21.8 m-85 -130.22 119.06 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.36 -0.838 . . . . 0.0 109.509 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -98.52 -173.51 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.185 -0.947 . . . . 0.0 109.164 179.438 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -119.54 134.55 55.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.548 -0.72 . . . . 0.0 109.575 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -136.03 75.26 1.54 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.327 -0.858 . . . . 0.0 109.34 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.02 -89.71 1.22 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.1 3.76 2.21 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.223 -1.163 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.94 118.54 21.81 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.353 -0.842 . . . . 0.0 109.122 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.6 m -69.85 147.43 50.35 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.151 -0.968 . . . . 0.0 109.449 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.4 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 33.3 m -125.73 179.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 O-C-N 121.268 -0.895 . . . . 0.0 109.26 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.68 138.61 41.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.215 -0.928 . . . . 0.0 109.524 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -115.18 120.46 36.73 Favored Pre-proline 0 CA--C 1.536 0.43 0 O-C-N 121.301 -0.874 . . . . 0.0 109.343 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -90.38 -17.12 1.55 Allowed 'Trans proline' 0 N--CA 1.478 0.562 0 C-N-CA 124.709 3.606 . . . . 0.0 110.222 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.29 85.15 39.4 Favored Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.242 -0.911 . . . . 0.0 109.323 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -90.3 142.37 3.62 Favored 'Trans proline' 0 N--CA 1.477 0.529 1 C-N-CA 125.523 4.149 . . . . 0.0 110.41 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 t -137.7 -165.32 1.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.252 -0.905 . . . . 0.0 109.263 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.79 -27.33 8.54 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.261 -0.9 . . . . 0.0 108.794 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -69.95 0.48 5.86 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -97.86 51.36 1.05 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p30 41.95 71.96 0.19 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.214 0.53 . . . . 0.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 6.5 t-20 60.32 84.64 0.12 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.726 0.774 . . . . 0.0 109.189 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.94 42.18 2.97 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.598 ' HA2' HG22 ' A' ' 90' ' ' ILE . . . 126.95 -17.0 6.38 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 107.846 -2.102 . . . . 0.0 107.846 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ASP . 24.5 m -110.74 112.62 24.62 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.507 -0.996 . . . . 0.0 108.612 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 6.5 t0 -29.29 140.14 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.209 0.528 . . . . 0.0 111.765 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.38 -30.5 40.16 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -93.8 -14.63 25.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' H ' ' HB3' ' A' ' 57' ' ' ASP . . . -79.58 174.36 11.66 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.269 -0.895 . . . . 0.0 109.357 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.64 156.8 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 25.0 t -128.75 143.07 50.83 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.078 -1.014 . . . . 0.0 109.732 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.36 141.56 45.58 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.34 -0.85 . . . . 0.0 109.391 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.01 14.55 4.26 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 . . . . . 0 CA--C 1.531 0.221 0 O-C-N 121.403 -0.811 . . . . 0.0 109.599 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -76.92 118.61 19.68 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.305 -0.872 . . . . 0.0 109.531 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 74' ' ' ILE . 3.1 mm -113.89 112.78 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 O-C-N 121.236 -0.915 . . . . 0.0 109.274 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.59 163.14 12.39 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.223 -0.923 . . . . 0.0 109.53 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 56.4 m -137.12 126.38 24.73 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.258 -0.901 . . . . 0.0 109.568 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -122.61 96.45 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.286 -0.884 . . . . 0.0 108.796 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 95.3 m -53.05 116.1 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.392 -0.818 . . . . 0.0 110.269 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.452 HG22 ' H ' ' A' ' 79' ' ' THR . 1.5 t -78.91 6.71 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.419 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -58.49 177.25 0.24 Allowed Pre-proline 0 C--N 1.332 -0.18 0 O-C-N 121.541 -0.725 . . . . 0.0 109.222 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 9.8 Cg_endo -84.45 -85.75 0.0 OUTLIER 'Trans proline' 0 N--CA 1.476 0.443 0 C-N-CA 124.9 3.733 . . . . 0.0 109.842 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.89 -27.17 60.3 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 42.88 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.099 0.476 . . . . 0.0 110.965 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -129.21 70.98 82.02 Favored Pre-proline 0 C--N 1.332 -0.19 0 O-C-N 120.828 -1.17 . . . . 0.0 110.2 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -37.05 113.36 0.11 Allowed 'Trans proline' 0 N--CA 1.481 0.759 1 C-N-CA 125.486 4.124 . . . . 0.0 110.044 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.645 HD12 ' HB2' ' A' ' 91' ' ' PHE . 37.0 mt -67.05 -59.11 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.14 -0.975 . . . . 0.0 108.467 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.61 ' CD2' HD11 ' A' ' 90' ' ' ILE . 84.2 m-85 -92.94 -102.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.75 21.02 12.16 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.167 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.17 -20.06 6.33 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 119.577 -1.297 . . . . 0.0 110.7 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.61 HD11 ' CD2' ' A' ' 87' ' ' PHE . 5.7 pt -55.47 -37.99 47.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 O-C-N 120.938 -1.331 . . . . 0.0 109.491 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.645 ' HB2' HD12 ' A' ' 86' ' ' LEU . 9.9 m-85 -132.2 133.94 44.77 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.205 -0.934 . . . . 0.0 109.216 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.38 152.95 25.63 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.145 -0.972 . . . . 0.0 109.141 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 O-C-N 121.197 -0.939 . . . . 0.0 109.734 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 6' ' ' GLN . 4.7 p-80 . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.403 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 0.5 OUTLIER 59.48 68.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.313 -0.867 . . . . 0.0 109.822 179.733 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.17 120.69 11.4 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.131 -0.981 . . . . 0.0 108.898 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 8' ' ' VAL . 2.6 m -80.7 -44.03 21.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 O-C-N 121.196 -0.94 . . . . 0.0 109.969 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -165.78 100.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.128 -0.983 . . . . 0.0 109.288 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.85 138.91 25.96 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.314 -0.867 . . . . 0.0 109.641 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.28 -90.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.247 -0.908 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.5 t 66.54 122.17 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.644 0 O-C-N 121.492 -0.755 . . . . 0.0 109.136 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -89.73 178.6 2.33 Favored 'Trans proline' 0 N--CA 1.483 0.871 0 C-N-CA 124.68 3.587 . . . . 0.0 111.592 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -59.62 -179.33 0.09 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.486 -0.759 . . . . 0.0 109.354 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 55.02 25.49 6.99 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.406 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 2.2 t 177.6 142.36 0.09 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.533 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -120.01 174.08 15.45 Favored Glycine 0 CA--C 1.533 1.194 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.15 168.3 13.37 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.14 -1.212 . . . . 0.0 109.747 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -162.21 122.27 2.46 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.307 -0.871 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -70.62 115.29 9.61 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.298 -0.876 . . . . 0.0 109.367 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.422 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.78 139.63 38.88 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.279 -0.888 . . . . 0.0 109.467 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.66 ' H ' HD12 ' A' ' 22' ' ' LEU . 6.6 mp -64.05 -8.34 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.294 -0.879 . . . . 0.0 109.235 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.22 36.17 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.276 -0.89 . . . . 0.0 109.399 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 57.68 41.47 25.3 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.243 -0.911 . . . . 0.0 109.496 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -131.3 178.24 6.86 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.255 -0.903 . . . . 0.0 109.388 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -132.56 131.2 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.242 -0.911 . . . . 0.0 109.52 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 2.7 mt-10 -146.33 159.17 43.71 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.332 -0.855 . . . . 0.0 109.31 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.65 110.13 22.08 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.21 -0.931 . . . . 0.0 108.872 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.736 ' HD3' HD22 ' A' ' 53' ' ' ASN . 7.6 ttmt -100.08 161.87 13.33 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 121.307 -0.871 . . . . 0.0 109.324 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.8 m -90.27 176.69 6.65 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 120.973 -1.079 . . . . 0.0 110.096 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.8 mt -79.67 -164.94 0.72 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.339 -0.851 . . . . 0.0 109.933 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.714 HD21 ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -73.45 150.57 41.56 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.36 -0.838 . . . . 0.0 109.977 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 53.86 21.42 2.77 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.404 -0.81 . . . . 0.0 110.033 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -117.09 163.6 16.01 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.154 -0.966 . . . . 0.0 109.302 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.461 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -131.08 179.74 5.82 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.465 -0.772 . . . . 0.0 109.229 -179.724 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -112.47 127.94 56.19 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.321 -0.862 . . . . 0.0 109.43 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -123.61 94.56 4.28 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.251 -0.905 . . . . 0.0 109.531 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.5 -95.42 0.38 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -127.5 13.75 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.215 -1.168 . . . . 0.0 109.474 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.18 116.8 9.73 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.285 -0.884 . . . . 0.0 109.607 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 95.1 m -70.55 152.65 43.73 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.171 -0.955 . . . . 0.0 109.113 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.461 HG22 ' HG3' ' A' ' 35' ' ' LYS . 22.3 m -133.34 -178.73 2.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 O-C-N 121.109 -0.994 . . . . 0.0 110.019 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.06 126.19 29.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.379 -0.826 . . . . 0.0 109.434 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.486 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 56.7 t30 -104.46 131.82 21.52 Favored Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 121.247 -0.908 . . . . 0.0 109.39 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.8 Cg_endo -92.56 -15.06 1.17 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 124.763 3.642 . . . . 0.0 110.052 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.406 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 17.4 t30 -137.29 93.59 12.85 Favored Pre-proline 0 CA--C 1.534 0.347 0 O-C-N 121.35 -0.844 . . . . 0.0 110.029 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -91.3 178.93 1.68 Allowed 'Trans proline' 0 N--CA 1.478 0.569 1 C-N-CA 125.429 4.086 . . . . 0.0 109.874 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.821 HG21 ' HG3' ' A' ' 51' ' ' GLU . 14.9 t -162.73 -147.23 0.12 Allowed 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.019 -1.051 . . . . 0.0 109.992 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.582 ' N ' HG23 ' A' ' 48' ' ' THR . 76.9 m -149.37 -45.22 0.14 Allowed 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -68.79 4.71 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.551 -0.718 . . . . 0.0 110.116 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.821 ' HG3' HG21 ' A' ' 48' ' ' THR . 75.5 mt-10 -107.08 62.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.051 -1.031 . . . . 0.0 108.837 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.41 73.03 0.13 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.143 0.497 . . . . 0.0 110.053 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.736 HD22 ' HD3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 65.41 96.15 0.05 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 122.618 1.199 . . . . 0.0 108.598 -179.554 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.59 21.67 31.47 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 107.885 -2.086 . . . . 0.0 107.885 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.679 ' O ' HG22 ' A' ' 90' ' ' ILE . . . 136.61 -8.07 3.95 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 108.211 -1.956 . . . . 0.0 108.211 -178.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.1 m -111.66 138.72 47.86 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.339 -1.095 . . . . 0.0 109.147 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.735 ' HB3' ' HB2' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -40.57 144.86 0.21 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.104 0.478 . . . . 0.0 110.393 -179.261 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.32 -35.38 37.75 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.537 -0.727 . . . . 0.0 109.886 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.459 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -97.2 5.25 50.42 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.235 -0.916 . . . . 0.0 109.672 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.735 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . . . -88.59 140.54 29.35 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.093 -1.004 . . . . 0.0 109.691 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -70.24 103.35 2.34 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.261 -0.899 . . . . 0.0 109.046 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.9 t -85.73 142.0 29.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.422 -0.799 . . . . 0.0 109.234 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.69 143.1 43.21 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.141 -0.975 . . . . 0.0 109.794 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -143.43 8.86 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.343 -0.848 . . . . 0.0 109.426 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.421 ' HG3' ' H ' ' A' ' 65' ' ' GLU . 4.4 mt-10 . . . . . 0 C--N 1.331 -0.232 0 O-C-N 121.229 -0.919 . . . . 0.0 109.701 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 121.245 0.545 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.33 117.93 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.453 -0.779 . . . . 0.0 109.962 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.404 ' HA ' HD13 ' A' ' 74' ' ' ILE . 17.0 mm -136.01 149.47 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 121.054 -1.029 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.49 142.36 43.53 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.257 -0.902 . . . . 0.0 109.409 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.714 ' SG ' HD21 ' A' ' 32' ' ' LEU . 57.6 m -117.23 115.04 24.52 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.243 -0.911 . . . . 0.0 109.263 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -123.95 94.17 4.15 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.107 -0.995 . . . . 0.0 109.442 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.38 96.54 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.19 -0.944 . . . . 0.0 109.053 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 79' ' ' THR . 14.2 t -84.99 42.16 0.91 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.256 -0.902 . . . . 0.0 109.817 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -111.25 170.94 4.74 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 121.082 -1.011 . . . . 0.0 109.305 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -86.29 -53.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.578 0 C-N-CA 125.169 3.912 . . . . 0.0 109.78 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -81.1 15.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.356 -0.84 . . . . 0.0 108.791 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.05 115.36 6.02 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.458 -0.776 . . . . 0.0 109.45 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -138.65 70.97 44.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 121.257 -0.902 . . . . 0.0 109.161 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -31.33 120.29 0.08 OUTLIER 'Trans proline' 0 N--CA 1.48 0.713 1 C-N-CA 126.167 4.578 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.3 mt -82.58 -30.6 29.47 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.453 ' CB ' HD11 ' A' ' 90' ' ' ILE . 7.7 m-85 -110.72 -101.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.51 25.96 6.41 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.229 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.66 23.65 5.28 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 119.503 -1.332 . . . . 0.0 110.539 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.884 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -107.84 -14.92 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 O-C-N 120.953 -1.322 . . . . 0.0 109.315 179.581 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.884 ' CE2' HD12 ' A' ' 90' ' ' ILE . 20.3 m-85 -132.74 65.51 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.236 -0.915 . . . . 0.0 109.908 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 52.83 2.62 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.081 -1.012 . . . . 0.0 109.152 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.331 -0.217 0 O-C-N 121.283 -0.886 . . . . 0.0 109.563 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 121.319 0.581 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.439 ' H ' ' HB2' ' A' ' 20' ' ' ARG . 26.9 mt-30 -140.64 32.59 1.83 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.277 -0.889 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.2 p -56.78 139.24 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.267 -0.896 . . . . 0.0 109.364 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.86 147.19 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 O-C-N 121.264 -0.898 . . . . 0.0 109.52 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt 54.72 62.25 2.62 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.246 -0.909 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -128.68 -58.27 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.226 -0.921 . . . . 0.0 109.552 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 55.58 62.03 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.283 -0.885 . . . . 0.0 109.173 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 m -68.1 173.08 3.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.258 -0.901 . . . . 0.0 109.222 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -90.07 160.57 4.84 Favored 'Trans proline' 0 N--CA 1.478 0.599 1 C-N-CA 125.552 4.168 . . . . 0.0 110.438 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -54.83 172.23 0.11 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 121.284 -0.885 . . . . 0.0 109.373 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.718 ' HA ' HD12 ' A' ' 31' ' ' LEU . 4.6 m120 55.0 35.52 24.84 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.267 -0.895 . . . . 0.0 109.036 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -168.6 116.94 0.69 Allowed 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.319 -0.863 . . . . 0.0 109.562 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.97 155.51 22.0 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 155.48 22.85 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.207 -1.173 . . . . 0.0 109.61 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -160.58 132.08 5.79 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.298 -0.876 . . . . 0.0 109.427 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HB2' ' H ' ' A' ' 6' ' ' GLN . 10.8 ttt-85 -82.58 117.49 22.6 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.313 -0.867 . . . . 0.0 109.114 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.94 133.14 43.13 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.361 -0.837 . . . . 0.0 109.608 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' N ' HD22 ' A' ' 22' ' ' LEU . 4.5 mm? -59.12 -15.24 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.371 -0.831 . . . . 0.0 109.485 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.41 30.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.3 -0.875 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.76 37.65 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.229 -0.919 . . . . 0.0 109.66 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -127.83 177.89 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.193 -0.942 . . . . 0.0 109.225 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -135.41 136.82 41.7 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.212 -0.93 . . . . 0.0 109.596 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -160.76 161.01 31.99 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.213 -0.929 . . . . 0.0 109.589 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.8 m -112.04 119.3 37.98 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.326 -0.859 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -98.41 141.88 30.73 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.126 -0.984 . . . . 0.0 108.72 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 4.5 m -59.56 160.93 6.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 120.952 -1.093 . . . . 0.0 109.829 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 15' ' ' ASN . 6.5 mt -68.43 -168.1 0.11 Allowed 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.318 -0.864 . . . . 0.0 109.643 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.702 ' HG ' HG21 ' A' ' 90' ' ' ILE . 8.6 mt -72.97 155.61 39.67 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.316 -0.865 . . . . 0.0 109.53 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m120 56.9 18.14 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.31 -0.869 . . . . 0.0 109.441 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 12.3 m-85 -124.85 117.33 23.89 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.319 -0.863 . . . . 0.0 108.959 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -102.13 -173.06 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.078 -1.014 . . . . 0.0 109.619 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -108.92 146.58 33.55 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.55 -0.719 . . . . 0.0 109.442 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -156.58 69.34 0.61 Allowed 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.196 -0.94 . . . . 0.0 109.365 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.58 -103.35 2.23 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -126.82 2.13 6.68 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.236 -1.155 . . . . 0.0 109.4 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -133.62 134.48 43.28 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.288 -0.883 . . . . 0.0 109.375 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.4 m -73.44 139.19 45.67 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.139 -0.976 . . . . 0.0 109.376 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.1 m -114.24 -179.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 121.204 -0.935 . . . . 0.0 109.468 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.4 135.34 44.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.279 -0.888 . . . . 0.0 109.244 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -102.5 111.41 64.61 Favored Pre-proline 0 CA--C 1.534 0.334 0 O-C-N 121.257 -0.902 . . . . 0.0 109.602 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -87.87 -14.29 3.6 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 124.82 3.68 . . . . 0.0 109.76 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -146.19 82.53 9.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 121.495 -0.753 . . . . 0.0 109.125 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -89.01 159.31 5.87 Favored 'Trans proline' 0 N--CA 1.478 0.578 1 C-N-CA 125.467 4.112 . . . . 0.0 110.033 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.744 HG23 ' HG2' ' A' ' 51' ' ' GLU . 8.8 t -149.47 -172.83 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.157 -0.964 . . . . 0.0 109.886 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 62' ' ' CYS . 87.2 m -112.5 -31.26 6.85 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.42 -0.8 . . . . 0.0 108.887 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -58.98 -14.8 10.31 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.318 -0.863 . . . . 0.0 109.114 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.744 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.7 pt-20 -76.72 59.43 1.55 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 42.14 57.78 3.17 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.974 0.416 . . . . 0.0 111.566 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.515 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.5 OUTLIER 66.06 69.26 0.44 Allowed 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.16 -0.962 . . . . 0.0 109.547 178.599 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.97 -43.0 6.12 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.94 -20.55 67.63 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.515 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.62 160.33 17.33 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.171 -1.194 . . . . 0.0 110.372 -179.788 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -91.73 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.566 -0.709 . . . . 0.0 109.747 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.68 -13.23 0.2 Allowed 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.269 -0.895 . . . . 0.0 109.344 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -126.16 -15.36 5.79 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.204 -0.935 . . . . 0.0 109.551 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.428 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . . . -71.52 176.65 4.55 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.217 -0.927 . . . . 0.0 109.495 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -103.21 122.9 45.7 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.221 -0.924 . . . . 0.0 109.509 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 49' ' ' CYS . 19.8 t -93.79 155.04 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.354 -0.841 . . . . 0.0 109.436 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.24 152.89 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.127 -0.983 . . . . 0.0 109.564 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -143.04 3.81 1.41 Allowed 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.19 -0.944 . . . . 0.0 109.524 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.33 -0.275 0 O-C-N 121.29 -0.882 . . . . 0.0 109.534 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 121.298 0.571 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.66 121.43 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.511 -0.743 . . . . 0.0 109.675 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.476 ' HA ' HD13 ' A' ' 74' ' ' ILE . 15.8 mm -131.34 107.56 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 121.074 -1.016 . . . . 0.0 109.712 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.78 150.96 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.342 -0.849 . . . . 0.0 108.951 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -135.68 154.22 51.35 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.209 -0.932 . . . . 0.0 109.988 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -152.18 105.69 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.1 m -74.76 123.33 24.77 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.243 -0.91 . . . . 0.0 109.67 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.7 t -85.48 24.56 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.293 -0.879 . . . . 0.0 109.152 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -87.93 168.51 16.59 Favored Pre-proline 0 C--N 1.329 -0.296 0 O-C-N 121.374 -0.829 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -83.51 128.28 4.66 Favored 'Trans proline' 0 N--CA 1.479 0.636 0 C-N-CA 124.881 3.721 . . . . 0.0 109.472 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 t0 72.63 -53.52 0.7 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.411 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER 62.16 152.15 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.652 0.739 . . . . 0.0 110.174 179.22 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.411 ' CD2' ' O ' ' A' ' 83' ' ' SER . 59.3 m-85 -155.37 99.9 2.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 121.341 -0.85 . . . . 0.0 108.816 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -86.96 116.09 1.24 Allowed 'Trans proline' 0 N--CA 1.478 0.591 0 C-N-CA 125.128 3.885 . . . . 0.0 110.579 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.4 mt -78.73 -8.66 58.94 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.521 ' CE1' HD21 ' A' ' 31' ' ' LEU . 77.6 m-85 -144.55 -110.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.502 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -109.82 25.64 11.56 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 121.55 -0.718 . . . . 0.0 109.71 179.637 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.21 14.53 30.47 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 119.701 -1.238 . . . . 0.0 110.113 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.743 HD12 ' HE2' ' A' ' 91' ' ' PHE . 0.8 OUTLIER -94.45 8.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 O-C-N 121.047 -1.267 . . . . 0.0 109.304 179.801 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.743 ' HE2' HD12 ' A' ' 90' ' ' ILE . 92.0 m-85 -153.05 43.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.355 -0.84 . . . . 0.0 109.215 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.3 m -53.44 116.43 2.45 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.367 -0.833 . . . . 0.0 109.6 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.331 -0.237 0 O-C-N 121.325 -0.859 . . . . 0.0 109.428 179.994 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.6 p80 . . . . . 0 CA--C 1.53 0.191 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 89.33 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.285 -0.884 . . . . 0.0 109.313 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.59 139.32 38.66 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.341 -0.85 . . . . 0.0 109.439 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.601 HG23 ' N ' ' A' ' 9' ' ' LYS . 28.9 m -91.82 -49.24 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.159 -0.963 . . . . 0.0 109.605 -179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.601 ' N ' HG23 ' A' ' 8' ' ' VAL . 6.5 tttp -135.8 30.65 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.222 -0.924 . . . . 0.0 109.505 -179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.08 162.94 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.12 -0.988 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -156.47 108.07 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.237 -0.915 . . . . 0.0 109.307 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 172.32 5.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 121.307 -0.871 . . . . 0.0 109.197 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -90.6 170.15 3.72 Favored 'Trans proline' 0 N--CA 1.476 0.465 1 C-N-CA 125.544 4.162 . . . . 0.0 110.229 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -55.29 174.5 0.09 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.259 -0.901 . . . . 0.0 109.265 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.847 ' HA ' HD12 ' A' ' 31' ' ' LEU . 67.0 m-20 55.34 22.89 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.146 -0.971 . . . . 0.0 109.202 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 35.9 t -167.86 148.31 5.1 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.203 -0.936 . . . . 0.0 110.021 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.33 -175.12 13.92 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.97 138.1 31.71 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.112 -1.228 . . . . 0.0 109.666 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 1.6 t80 -144.99 44.8 1.35 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.818 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.518 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 12.3 ttm180 -87.91 81.26 7.57 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.299 -0.875 . . . . 0.0 109.411 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.557 ' NE2' HD11 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -148.67 -164.78 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.015 -1.053 . . . . 0.0 109.563 179.458 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.557 HD11 ' NE2' ' A' ' 21' ' ' HIS . 3.6 mt 72.18 -52.57 0.7 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.786 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.28 13.91 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.768 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 57.2 30.14 17.86 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.731 -0.606 . . . . 0.0 109.436 -179.794 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -177.38 48.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.228 -0.92 . . . . 0.0 109.752 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 20' ' ' ARG . 4.9 mm-40 -84.52 -110.0 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.258 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.39 176.5 0.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 O-C-N 120.805 -1.184 . . . . 0.0 109.759 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.1 m -73.55 132.7 43.13 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.309 -0.869 . . . . 0.0 109.49 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -108.47 134.95 50.55 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.288 -0.883 . . . . 0.0 108.806 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 2.6 m -61.59 167.38 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.049 -1.032 . . . . 0.0 109.764 -179.51 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 15' ' ' ASN . 78.3 mt -80.41 -164.49 0.71 Allowed 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.24 -0.913 . . . . 0.0 109.89 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD21 ' O ' ' A' ' 55' ' ' GLY . 92.0 mt -70.3 158.75 35.34 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.35 -0.844 . . . . 0.0 109.609 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m120 56.0 18.59 3.19 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.271 -0.893 . . . . 0.0 109.706 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -128.33 149.03 50.69 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.234 -0.916 . . . . 0.0 109.338 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 13.3 ptmt -129.72 -176.18 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.315 -0.865 . . . . 0.0 108.862 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -116.71 141.46 48.17 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.356 -0.84 . . . . 0.0 109.499 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -159.21 103.97 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.187 -0.946 . . . . 0.0 109.472 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.39 -100.51 2.36 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -134.83 -0.11 2.87 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.226 -1.161 . . . . 0.0 109.421 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -131.72 150.35 52.18 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.247 -0.908 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.6 m -86.25 147.37 26.12 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.032 -1.043 . . . . 0.0 109.482 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 22.4 m -124.83 -179.69 2.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 O-C-N 121.234 -0.916 . . . . 0.0 109.482 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.63 144.75 54.39 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.141 -0.974 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -123.75 68.4 42.91 Favored Pre-proline 0 CA--C 1.53 0.182 0 O-C-N 121.241 -0.912 . . . . 0.0 109.815 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -34.49 -33.59 0.08 OUTLIER 'Trans proline' 0 N--CA 1.482 0.814 1 C-N-CA 125.879 4.386 . . . . 0.0 110.559 179.502 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -135.66 91.59 17.97 Favored Pre-proline 0 CA--C 1.533 0.309 0 O-C-N 121.272 -0.893 . . . . 0.0 109.345 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -89.39 154.44 5.45 Favored 'Trans proline' 0 N--CA 1.478 0.612 1 C-N-CA 125.36 4.04 . . . . 0.0 110.485 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.792 HG23 ' HG2' ' A' ' 51' ' ' GLU . 6.2 t -137.24 -175.2 3.97 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.308 -0.87 . . . . 0.0 109.635 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.25 -25.52 8.83 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.311 -0.868 . . . . 0.0 108.946 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -68.89 -0.65 5.79 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.298 -0.876 . . . . 0.0 108.758 179.22 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.792 ' HG2' HG23 ' A' ' 48' ' ' THR . 9.6 pt-20 -95.31 49.83 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 179.363 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 42.03 71.91 0.19 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.199 0.524 . . . . 0.0 110.272 -179.093 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 7.8 t-20 59.68 82.29 0.15 Allowed 'General case' 0 N--CA 1.464 0.251 0 O-C-N 121.448 -0.782 . . . . 0.0 108.968 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.67 -41.71 64.0 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 108.036 -2.026 . . . . 0.0 108.036 178.611 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.797 ' O ' HG22 ' A' ' 90' ' ' ILE . . . -149.91 -3.25 0.27 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 107.531 -2.227 . . . . 0.0 107.531 179.17 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' ASP . 59.6 m -111.84 118.93 36.89 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.529 -0.983 . . . . 0.0 109.225 179.549 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -32.78 138.26 0.06 Allowed 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.404 0.621 . . . . 0.0 111.542 -179.272 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.88 -34.26 62.83 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.39 -0.819 . . . . 0.0 108.906 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -83.8 -10.2 58.24 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.422 -0.799 . . . . 0.0 109.075 179.788 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.2 165.73 11.91 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.211 -0.931 . . . . 0.0 109.5 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -91.87 169.84 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.351 -0.843 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.445 ' SG ' HD12 ' A' ' 74' ' ' ILE . 24.1 t -139.94 137.68 34.96 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.307 -0.871 . . . . 0.0 109.485 -179.741 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -119.96 139.92 51.72 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.275 -0.891 . . . . 0.0 109.488 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.74 17.0 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.253 -0.905 . . . . 0.0 109.492 -179.855 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 32.9 mt-10 . . . . . 0 C--N 1.33 -0.255 0 O-C-N 121.373 -0.829 . . . . 0.0 109.483 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 160.62 15.48 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.252 -0.905 . . . . 0.0 109.452 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.514 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.2 mm -141.98 113.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 O-C-N 121.245 -0.91 . . . . 0.0 109.482 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.9 162.2 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.276 -0.89 . . . . 0.0 109.396 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.8 m -126.25 141.32 51.96 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.211 -0.931 . . . . 0.0 109.366 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -144.4 114.05 7.18 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.273 -0.892 . . . . 0.0 109.644 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 113.64 24.99 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.189 -0.944 . . . . 0.0 109.177 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -84.64 22.52 1.3 Allowed 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.212 -0.93 . . . . 0.0 109.787 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.401 ' N ' ' CD ' ' A' ' 80' ' ' LYS . 7.6 mptt -82.94 171.06 12.57 Favored Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 121.227 -0.921 . . . . 0.0 109.395 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -86.33 125.85 2.62 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 124.979 3.786 . . . . 0.0 109.039 179.261 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t0 72.67 -50.82 0.7 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.713 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.22 157.58 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.493 -0.754 . . . . 0.0 110.237 179.1 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -149.88 95.42 3.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -89.53 116.31 0.69 Allowed 'Trans proline' 0 N--CA 1.475 0.412 1 C-N-CA 125.307 4.004 . . . . 0.0 110.379 -179.335 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 9.7 mt -81.82 0.5 39.09 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.414 ' HB2' HG12 ' A' ' 90' ' ' ILE . 64.2 m-85 -154.27 -102.76 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.27 25.47 9.82 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 121.624 -0.672 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.44 -4.45 31.21 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 119.514 -1.326 . . . . 0.0 110.331 179.41 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.797 HG22 ' O ' ' A' ' 55' ' ' GLY . 11.5 pt -65.45 -26.32 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 120.942 -1.328 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.489 ' CE2' HD12 ' A' ' 90' ' ' ILE . 14.6 m-85 -130.31 72.8 1.5 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.278 -0.889 . . . . 0.0 110.232 -179.716 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.428 ' H ' ' HB2' ' A' ' 57' ' ' ASP . 5.1 m -76.63 135.0 39.16 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 120.957 -1.089 . . . . 0.0 108.925 179.354 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.33 -0.239 0 O-C-N 121.058 -1.026 . . . . 0.0 109.72 -179.907 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -68.66 -49.38 59.54 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.594 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t 66.26 118.01 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.303 -0.873 . . . . 0.0 109.446 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.72 -144.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 121.2 -0.937 . . . . 0.0 109.641 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.573 ' H ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -66.65 -70.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.302 -0.874 . . . . 0.0 109.579 -179.867 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.463 ' H ' ' HG2' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 66.78 126.01 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.376 -0.828 . . . . 0.0 109.544 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -117.39 78.17 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.211 -0.93 . . . . 0.0 109.437 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.39 173.98 5.11 Favored Pre-proline 0 CA--C 1.531 0.219 0 O-C-N 121.254 -0.904 . . . . 0.0 109.243 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -88.85 158.83 6.07 Favored 'Trans proline' 0 N--CA 1.478 0.565 1 C-N-CA 125.437 4.092 . . . . 0.0 110.403 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -54.55 173.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 121.29 -0.881 . . . . 0.0 109.439 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 34' ' ' TYR . 11.0 m-20 60.88 14.7 5.41 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.206 -0.934 . . . . 0.0 109.144 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.401 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 33.6 t -157.12 134.8 10.77 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.347 -0.846 . . . . 0.0 109.491 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.16 171.1 13.59 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.74 154.53 17.73 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.249 -1.148 . . . . 0.0 109.807 -179.764 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 40.5 t80 -154.76 146.97 23.78 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.318 -0.864 . . . . 0.0 109.162 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.67 115.58 24.22 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.271 -0.893 . . . . 0.0 109.542 -179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.9 144.82 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.304 -0.873 . . . . 0.0 109.407 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.593 HD21 ' HB2' ' A' ' 59' ' ' ASP . 7.9 mp -68.31 -0.96 5.37 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.211 -0.931 . . . . 0.0 109.25 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.22 28.66 7.49 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.269 -0.894 . . . . 0.0 109.333 179.805 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.66 36.04 6.63 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.252 -0.905 . . . . 0.0 109.518 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.5 178.82 5.42 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.162 -0.961 . . . . 0.0 109.383 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -136.33 138.66 41.89 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.203 -0.936 . . . . 0.0 109.479 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -158.12 160.52 37.39 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.205 -0.934 . . . . 0.0 109.595 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.1 m -104.37 110.14 22.27 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.273 -0.892 . . . . 0.0 109.396 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 136.04 36.92 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.214 -0.929 . . . . 0.0 109.023 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.401 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 2.7 m -58.48 146.3 35.79 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.149 -0.969 . . . . 0.0 109.199 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.633 HD22 ' CG ' ' A' ' 87' ' ' PHE . 78.0 mt -61.52 -166.93 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.211 -0.931 . . . . 0.0 109.869 -179.545 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.789 HD21 HG23 ' A' ' 90' ' ' ILE . 9.2 mt -73.39 167.43 21.28 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.366 -0.834 . . . . 0.0 109.665 -179.766 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.0 m120 57.29 17.73 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.405 -0.81 . . . . 0.0 109.387 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 21.4 m-85 -131.06 173.19 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.366 -0.834 . . . . 0.0 109.355 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -153.89 -175.11 5.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.858 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -115.04 134.21 55.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.485 -0.76 . . . . 0.0 109.478 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -141.92 81.05 1.74 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.359 -0.838 . . . . 0.0 109.356 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.45 -92.83 1.72 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -136.45 -4.13 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.333 -1.098 . . . . 0.0 109.434 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -124.63 131.82 53.45 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.232 -0.917 . . . . 0.0 109.198 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 76.3 m -71.02 145.17 50.14 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.125 -0.984 . . . . 0.0 109.461 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.401 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 34.3 m -124.48 172.4 12.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 O-C-N 121.32 -0.863 . . . . 0.0 109.564 179.711 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -63.44 148.84 47.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.256 -0.903 . . . . 0.0 109.712 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -123.51 67.1 37.05 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 121.218 -0.926 . . . . 0.0 109.552 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -34.09 -33.62 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.774 1 C-N-CA 125.982 4.454 . . . . 0.0 110.678 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -138.8 92.73 11.08 Favored Pre-proline 0 CA--C 1.533 0.317 0 O-C-N 121.225 -0.922 . . . . 0.0 109.527 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -88.79 172.78 4.48 Favored 'Trans proline' 0 N--CA 1.479 0.648 0 C-N-CA 125.185 3.924 . . . . 0.0 110.004 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.7 HG23 ' HG2' ' A' ' 51' ' ' GLU . 8.8 t -158.25 -171.44 3.49 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.115 -0.99 . . . . 0.0 109.784 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 99.6 m -111.17 -31.52 7.07 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.427 -0.796 . . . . 0.0 108.931 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.02 -13.93 13.87 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.338 -0.851 . . . . 0.0 109.15 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.7 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.6 pt-20 -77.83 59.12 2.01 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 42.07 58.18 3.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.005 0.431 . . . . 0.0 111.455 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.8 OUTLIER 66.2 70.68 0.42 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.184 -0.947 . . . . 0.0 109.33 178.755 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -84.99 -48.02 5.05 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 179.382 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.4 -15.91 72.73 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -111.25 162.4 15.01 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.005 -1.291 . . . . 0.0 109.98 -179.739 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.55 ' OD1' ' HB2' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -51.18 -87.55 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.597 -0.69 . . . . 0.0 109.711 -179.932 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.443 ' HB3' HD11 ' A' ' 22' ' ' LEU . . . -153.81 -9.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.411 -0.806 . . . . 0.0 109.031 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HB2' HD21 ' A' ' 22' ' ' LEU . 1.1 t70 -138.86 -7.92 1.4 Allowed 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.342 -0.849 . . . . 0.0 109.403 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.55 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . . . -69.7 171.44 9.08 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.187 -0.945 . . . . 0.0 109.705 -179.723 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -91.13 115.02 27.68 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.273 -0.892 . . . . 0.0 109.309 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 25.0 t -92.4 141.64 28.31 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.172 -0.955 . . . . 0.0 109.691 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.98 155.25 40.54 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.264 -0.897 . . . . 0.0 109.38 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.38 30.65 6.21 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.18 -0.95 . . . . 0.0 109.588 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.33 -0.264 0 O-C-N 121.17 -0.956 . . . . 0.0 109.612 -179.799 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -94.04 106.06 18.04 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.226 -0.921 . . . . 0.0 109.487 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mm -120.75 115.36 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 O-C-N 121.222 -0.924 . . . . 0.0 109.221 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.451 HG22 ' H ' ' A' ' 76' ' ' CYS . 0.7 OUTLIER -111.3 173.21 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.278 -0.889 . . . . 0.0 109.642 -179.801 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.451 ' H ' HG22 ' A' ' 75' ' ' THR . 0.8 OUTLIER -152.19 148.32 27.45 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.344 -0.847 . . . . 0.0 110.077 -179.929 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -136.86 86.89 2.24 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.386 -0.821 . . . . 0.0 108.84 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.5 m -60.37 117.23 4.98 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.308 -0.87 . . . . 0.0 109.935 -179.439 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 t -71.1 0.77 6.9 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.27 -0.893 . . . . 0.0 108.835 179.335 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -62.35 168.99 3.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.461 -0.774 . . . . 0.0 109.231 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -79.38 130.94 9.31 Favored 'Trans proline' 0 N--CA 1.478 0.609 0 C-N-CA 124.641 3.561 . . . . 0.0 109.506 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 72.68 -53.11 0.7 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.165 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t 51.92 92.43 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.522 -0.736 . . . . 0.0 109.823 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.401 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 4.6 m-85 -116.14 81.9 10.81 Favored Pre-proline 0 C--N 1.33 -0.25 0 O-C-N 121.233 -0.917 . . . . 0.0 109.881 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 19.7 Cg_exo -33.1 151.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.483 0.889 1 C-N-CA 125.63 4.22 . . . . 0.0 110.665 179.615 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.798 HD12 ' CB ' ' A' ' 91' ' ' PHE . 58.2 mt -120.05 -2.31 10.25 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.268 -0.895 . . . . 0.0 109.726 -179.701 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.633 ' CG ' HD22 ' A' ' 31' ' ' LEU . 78.1 m-85 -152.22 -14.53 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.024 -1.048 . . . . 0.0 109.965 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 166.98 -46.36 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.635 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 179.34 7.51 0.02 OUTLIER Glycine 0 CA--C 1.529 0.931 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.789 HG23 HD21 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -81.58 -86.94 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 O-C-N 121.056 -1.261 . . . . 0.0 108.913 179.751 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.798 ' CB ' HD12 ' A' ' 86' ' ' LEU . 12.4 m-85 -66.59 113.91 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.315 -0.865 . . . . 0.0 109.297 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 6.4 m -107.57 64.28 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.247 -0.908 . . . . 0.0 109.452 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.33 -0.242 0 O-C-N 121.272 -0.892 . . . . 0.0 109.394 179.982 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p80 . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.8 164.12 17.9 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.281 -0.887 . . . . 0.0 109.484 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.58 177.32 4.68 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.212 -0.93 . . . . 0.0 109.267 179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.65 -12.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 O-C-N 121.259 -0.9 . . . . 0.0 109.508 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -144.54 48.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.386 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' CG ' ' H ' ' A' ' 11' ' ' GLN . 1.5 ttmm -139.17 -160.42 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.205 -0.934 . . . . 0.0 109.466 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.451 ' H ' ' CG ' ' A' ' 10' ' ' LYS . 9.0 mt-30 -162.91 49.66 0.16 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.245 -0.909 . . . . 0.0 109.603 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 21.2 t -54.83 131.81 66.33 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 121.217 -0.927 . . . . 0.0 108.59 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 28.8 Cg_endo -83.55 -169.33 0.68 Allowed 'Trans proline' 0 N--CA 1.483 0.909 0 C-N-CA 124.319 3.346 . . . . 0.0 110.863 -179.479 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -72.88 173.78 8.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.665 ' HA ' HD12 ' A' ' 31' ' ' LEU . 29.1 m-20 55.32 27.26 9.64 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.162 -0.961 . . . . 0.0 109.148 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 52.5 p -165.47 125.08 1.76 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.282 -0.886 . . . . 0.0 109.355 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.08 163.83 20.33 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.63 175.84 9.44 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.314 -1.109 . . . . 0.0 109.83 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.959 ' CE2' HD13 ' A' ' 22' ' ' LEU . 2.1 t80 -166.79 101.92 0.57 Allowed 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.478 -0.764 . . . . 0.0 109.165 -179.727 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.53 78.63 1.74 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 121.095 -1.003 . . . . 0.0 109.951 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.453 ' NE2' ' CZ ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -176.57 1.78 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.09 -1.006 . . . . 0.0 110.282 179.481 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.959 HD13 ' CE2' ' A' ' 19' ' ' PHE . 2.1 mp -109.92 -0.61 18.16 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.079 -1.013 . . . . 0.0 109.119 179.591 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.68 8.23 0.31 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.62 1.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.659 -0.651 . . . . 0.0 109.623 -179.672 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -110.5 174.48 5.84 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.134 -0.979 . . . . 0.0 109.142 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 134.76 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.117 -0.989 . . . . 0.0 109.764 -179.828 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.3 160.38 40.36 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.347 -0.846 . . . . 0.0 109.327 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.25 101.31 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.198 -0.938 . . . . 0.0 108.56 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 10.7 tttm -93.38 160.16 14.93 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 121.287 -0.883 . . . . 0.0 109.518 -179.126 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.0 m -80.07 156.97 26.84 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.121 -0.987 . . . . 0.0 109.775 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 15' ' ' ASN . 40.0 mt -65.09 -164.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.247 -0.908 . . . . 0.0 109.222 179.77 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.15 162.94 27.57 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.131 -0.98 . . . . 0.0 109.526 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 59.11 16.94 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.279 -0.888 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -124.56 172.9 8.85 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.284 -0.885 . . . . 0.0 109.72 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.512 ' HG3' HG23 ' A' ' 42' ' ' VAL . 8.1 ptmt -154.65 -173.32 4.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -108.37 138.2 45.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.486 -0.759 . . . . 0.0 109.762 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -159.36 102.11 1.56 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.259 -0.9 . . . . 0.0 109.312 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.83 -123.39 6.09 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -112.56 12.84 19.96 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.236 -1.156 . . . . 0.0 109.312 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.34 147.46 31.36 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.333 -0.855 . . . . 0.0 109.052 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.4 m -75.72 149.49 38.05 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.265 -0.897 . . . . 0.0 109.637 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.512 HG23 ' HG3' ' A' ' 35' ' ' LYS . 28.6 m -122.65 166.91 16.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 121.238 -0.914 . . . . 0.0 109.673 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -56.92 154.57 9.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.146 -0.971 . . . . 0.0 109.319 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 35' ' ' LYS . 13.1 t-20 -129.55 112.89 17.9 Favored Pre-proline 0 CA--C 1.535 0.369 0 O-C-N 121.164 -0.96 . . . . 0.0 109.717 -179.616 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 12.3 Cg_endo -89.79 -15.89 2.05 Favored 'Trans proline' 0 N--CA 1.478 0.563 0 C-N-CA 124.892 3.728 . . . . 0.0 109.901 179.407 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -130.67 87.16 50.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.51 -0.744 . . . . 0.0 109.019 179.727 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -86.98 113.69 1.03 Allowed 'Trans proline' 0 N--CA 1.477 0.542 0 C-N-CA 125.273 3.982 . . . . 0.0 110.7 -179.631 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.778 HG23 ' HG2' ' A' ' 51' ' ' GLU . 5.3 t -119.05 -174.6 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.303 -0.873 . . . . 0.0 109.18 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.8 m -111.85 -25.74 9.29 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.231 -0.918 . . . . 0.0 108.953 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -69.51 -0.32 6.44 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.338 -0.851 . . . . 0.0 108.708 179.22 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.778 ' HG2' HG23 ' A' ' 48' ' ' THR . 10.1 pt-20 -96.55 50.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.92 71.57 0.21 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.24 0.543 . . . . 0.0 110.396 -179.179 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 5.7 t30 60.21 85.2 0.11 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.552 0.691 . . . . 0.0 109.235 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.13 -42.32 84.47 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 107.762 -2.135 . . . . 0.0 107.762 178.342 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.13 -0.37 0.3 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 107.456 -2.258 . . . . 0.0 107.456 178.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASP . 75.2 m -111.15 111.52 22.65 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.632 -0.922 . . . . 0.0 109.314 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -28.11 140.41 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.376 0.607 . . . . 0.0 112.018 -179.374 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.38 -34.58 64.45 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.339 -0.85 . . . . 0.0 108.996 -179.773 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.694 ' HB2' HD21 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -82.05 -11.3 58.87 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.318 -0.864 . . . . 0.0 108.735 179.586 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 92' ' ' CYS . . . -95.36 142.75 27.38 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.35 -0.844 . . . . 0.0 109.27 179.771 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.52 169.13 17.12 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.174 -0.954 . . . . 0.0 109.27 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.7 t -137.03 155.03 50.2 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.273 -0.892 . . . . 0.0 109.154 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.95 144.14 24.74 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.12 -0.988 . . . . 0.0 109.519 -179.757 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.47 -9.97 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.32 -0.863 . . . . 0.0 109.535 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--N 1.33 -0.241 0 O-C-N 121.294 -0.879 . . . . 0.0 109.734 -179.815 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.22 0 CA-C-O 121.195 0.522 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.14 121.43 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.656 0.741 . . . . 0.0 110.003 179.714 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.0 mm -138.89 156.47 28.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 121.193 -0.942 . . . . 0.0 109.001 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.66 149.45 35.7 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.144 -0.972 . . . . 0.0 109.568 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.9 m -115.45 136.31 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.355 -0.841 . . . . 0.0 109.21 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.26 84.9 2.3 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.21 -0.931 . . . . 0.0 109.573 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.64 112.28 6.76 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.294 -0.879 . . . . 0.0 109.139 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 79' ' ' THR . 15.1 t -89.54 41.32 1.03 Allowed 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.229 -0.92 . . . . 0.0 110.01 -179.416 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 169.14 6.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 O-C-N 121.151 -0.968 . . . . 0.0 109.17 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -84.01 127.82 4.2 Favored 'Trans proline' 0 N--CA 1.477 0.509 0 C-N-CA 124.901 3.734 . . . . 0.0 109.535 179.611 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.72 -52.62 0.7 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -178.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.83 160.01 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.401 -0.812 . . . . 0.0 110.17 179.245 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -148.93 94.06 4.11 Favored Pre-proline 0 C--N 1.328 -0.329 0 O-C-N 121.396 -0.815 . . . . 0.0 109.073 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -91.34 119.95 0.6 Allowed 'Trans proline' 0 N--CA 1.475 0.426 1 C-N-CA 125.605 4.203 . . . . 0.0 110.237 -179.68 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 87' ' ' PHE . 21.3 mt -92.04 -24.29 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.295 -0.878 . . . . 0.0 108.942 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.441 ' CD2' ' HB2' ' A' ' 86' ' ' LEU . 42.8 m-85 -147.12 73.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER 75.94 -32.92 0.21 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.953 -0.467 . . . . 0.0 110.298 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.48 31.57 0.07 OUTLIER Glycine 0 CA--C 1.533 1.181 0 C-N-CA 118.964 -1.588 . . . . 0.0 111.273 179.419 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.782 HD11 ' CE2' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -91.95 -12.85 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 120.735 -1.45 . . . . 0.0 108.776 179.121 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.782 ' CE2' HD11 ' A' ' 90' ' ' ILE . 29.0 m-85 -131.85 38.95 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.444 -0.785 . . . . 0.0 109.116 179.48 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -53.31 165.21 0.38 Allowed 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.341 -0.849 . . . . 0.0 109.782 -179.83 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.29 0 O-C-N 121.316 -0.865 . . . . 0.0 109.241 179.795 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.513 ' CG ' HD11 ' A' ' 86' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 6.2 tt0 -55.5 169.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.285 -0.885 . . . . 0.0 109.549 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.39 178.38 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.268 -0.895 . . . . 0.0 109.312 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.0 t -105.03 -67.56 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 O-C-N 121.28 -0.887 . . . . 0.0 109.592 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.8 35.95 4.5 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.276 -0.89 . . . . 0.0 109.439 -179.886 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HZ1' ' HB2' ' A' ' 12' ' ' CYS . 2.8 ttpp -106.4 175.92 5.34 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.276 -0.89 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.445 ' H ' ' HG2' ' A' ' 10' ' ' LYS . 3.5 pt20 -148.5 99.12 2.98 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.225 -0.922 . . . . 0.0 110.07 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.499 ' HB2' ' HZ1' ' A' ' 10' ' ' LYS . 19.5 t -96.16 135.71 22.49 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.363 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 18.3 Cg_endo -82.18 -169.34 0.74 Allowed 'Trans proline' 0 N--CA 1.483 0.874 0 C-N-CA 124.322 3.348 . . . . 0.0 110.925 -179.435 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -73.93 174.45 8.53 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.646 ' HA ' HD12 ' A' ' 31' ' ' LEU . 33.9 m-20 55.26 22.18 4.59 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.091 -1.006 . . . . 0.0 109.045 -179.733 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 38.7 p -160.38 130.22 5.2 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.34 -0.85 . . . . 0.0 109.446 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.81 161.12 17.75 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.6 t -96.58 141.3 30.01 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.449 -1.03 . . . . 0.0 109.512 -179.804 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -138.16 112.4 8.63 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.207 -0.933 . . . . 0.0 109.449 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -63.89 114.38 4.04 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.18 -0.95 . . . . 0.0 109.319 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.43 139.4 37.35 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.289 -0.882 . . . . 0.0 109.446 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.724 HD21 ' OD2' ' A' ' 59' ' ' ASP . 7.2 mp -62.78 -9.53 9.72 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.248 -0.907 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.86 38.5 1.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.278 -0.889 . . . . 0.0 109.241 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 57.23 31.85 20.75 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.225 -0.922 . . . . 0.0 109.594 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.79 178.4 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.2 -0.937 . . . . 0.0 109.379 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -134.61 128.53 33.35 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.233 -0.917 . . . . 0.0 109.475 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -132.45 162.97 29.81 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.257 -0.902 . . . . 0.0 109.768 179.857 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -132.01 108.15 9.15 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -102.02 160.81 14.18 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.266 -0.896 . . . . 0.0 109.434 -179.17 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.421 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.7 m -78.8 152.19 31.52 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 120.979 -1.075 . . . . 0.0 109.364 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 15' ' ' ASN . 75.8 mt -62.14 -164.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.305 -0.872 . . . . 0.0 109.854 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.89 164.35 26.65 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.237 -0.914 . . . . 0.0 109.405 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 56.72 17.36 3.12 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.25 -0.906 . . . . 0.0 109.599 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -125.02 174.57 7.92 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.309 -0.869 . . . . 0.0 109.602 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HG3' HG23 ' A' ' 42' ' ' VAL . 8.7 ptmt -159.5 -174.24 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -112.6 134.42 54.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.449 -0.782 . . . . 0.0 109.601 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -154.87 72.96 0.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.146 -0.971 . . . . 0.0 109.407 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.35 -131.01 10.41 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -101.92 15.49 28.85 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.248 -1.148 . . . . 0.0 109.479 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -151.55 153.19 34.06 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.247 -0.908 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.6 m -84.68 148.22 26.52 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.173 -0.955 . . . . 0.0 109.293 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.404 HG23 ' HG3' ' A' ' 35' ' ' LYS . 35.1 m -120.83 172.9 7.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 O-C-N 121.116 -0.99 . . . . 0.0 109.702 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 146.92 53.8 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.272 -0.892 . . . . 0.0 109.511 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -124.12 67.68 44.94 Favored Pre-proline 0 C--N 1.331 -0.232 0 O-C-N 121.281 -0.887 . . . . 0.0 109.446 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -33.86 -34.12 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.769 1 C-N-CA 125.973 4.449 . . . . 0.0 110.619 179.66 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -133.59 86.11 40.65 Favored Pre-proline 0 CA--C 1.532 0.251 0 O-C-N 121.25 -0.906 . . . . 0.0 109.529 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -89.23 165.99 5.52 Favored 'Trans proline' 0 N--CA 1.478 0.609 1 C-N-CA 125.504 4.136 . . . . 0.0 110.197 179.791 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.706 ' HA ' HD11 ' A' ' 74' ' ' ILE . 9.4 t -159.9 -167.41 1.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.21 -0.931 . . . . 0.0 109.818 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.7 m -104.42 -20.5 13.7 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -62.5 -12.67 23.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.889 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.425 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 2.4 mt-10 -75.1 53.78 0.64 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.078 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 4.3 p-10 42.07 59.1 2.7 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 109.947 -178.848 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.521 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.5 OUTLIER 66.72 55.59 0.76 Allowed 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.467 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.47 -46.05 16.41 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.04 -16.3 75.06 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.521 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 1.1 m -111.43 161.69 15.85 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 120.981 -1.305 . . . . 0.0 110.422 -179.596 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -92.24 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.371 -0.83 . . . . 0.0 109.472 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.69 -9.89 0.21 Allowed 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.261 -0.9 . . . . 0.0 109.422 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.724 ' OD2' HD21 ' A' ' 22' ' ' LEU . 70.0 m-20 -132.71 -14.5 2.8 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.275 -0.89 . . . . 0.0 109.599 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.81 167.11 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.187 -0.946 . . . . 0.0 109.547 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -87.49 125.38 34.28 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.255 -0.903 . . . . 0.0 109.408 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.84 159.07 15.16 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.185 -0.947 . . . . 0.0 109.81 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.62 156.67 30.48 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.441 -0.787 . . . . 0.0 109.083 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -138.72 18.61 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.075 -1.016 . . . . 0.0 109.6 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 65' ' ' GLU . 32.3 mt-10 . . . . . 0 C--N 1.331 -0.227 0 O-C-N 121.311 -0.868 . . . . 0.0 109.339 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 150.55 48.53 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.23 -0.919 . . . . 0.0 109.427 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' A' ' 48' ' ' THR . 1.2 mm -124.13 152.94 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.26 -0.9 . . . . 0.0 109.291 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 m -147.23 157.45 43.6 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.187 -0.946 . . . . 0.0 109.47 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -159.61 145.18 15.75 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.179 -0.95 . . . . 0.0 109.519 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -144.74 111.86 5.96 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.331 -0.856 . . . . 0.0 109.098 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.38 75.93 9.27 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.245 -0.909 . . . . 0.0 109.149 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 79' ' ' THR . 12.4 t -75.67 44.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.271 -0.893 . . . . 0.0 109.526 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -113.4 175.5 1.83 Allowed Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 121.201 -0.937 . . . . 0.0 109.408 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 10.9 Cg_endo -87.51 139.85 5.09 Favored 'Trans proline' 0 N--CA 1.476 0.495 0 C-N-CA 125.292 3.995 . . . . 0.0 109.794 179.598 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t70 66.99 2.35 2.67 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.367 -0.833 . . . . 0.0 109.402 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.07 121.51 16.28 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 121.173 -0.954 . . . . 0.0 109.003 179.662 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.419 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 9.6 m-85 -141.52 78.98 17.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 O-C-N 121.159 -0.963 . . . . 0.0 109.787 -179.466 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 22.6 Cg_exo -31.94 150.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.484 0.918 1 C-N-CA 125.974 4.449 . . . . 0.0 110.88 179.69 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.513 HD11 ' CG ' ' A' ' 5' ' ' HIS . 33.4 mt -115.97 -26.23 7.39 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.224 -0.922 . . . . 0.0 109.87 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CE2' HD21 ' A' ' 31' ' ' LEU . 91.2 m-85 -127.66 -14.13 5.22 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.078 -1.014 . . . . 0.0 109.68 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 166.88 -47.94 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . 173.07 12.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.688 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.4 pt -94.42 10.5 4.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 O-C-N 121.224 -1.162 . . . . 0.0 109.461 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.688 ' CE2' HD12 ' A' ' 90' ' ' ILE . 70.9 m-85 -154.67 44.97 0.52 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.279 -0.888 . . . . 0.0 109.562 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.95 77.18 5.42 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.086 -1.009 . . . . 0.0 109.288 179.799 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.329 -0.3 0 O-C-N 121.227 -0.921 . . . . 0.0 109.66 -179.954 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.453 ' CE1' HD11 ' A' ' 86' ' ' LEU . 48.7 p-80 . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.33 139.55 32.97 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.187 -0.946 . . . . 0.0 109.496 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.73 132.31 51.12 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.293 -0.88 . . . . 0.0 109.474 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -87.43 98.47 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 121.298 -0.876 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.68 13.22 5.14 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.229 -0.919 . . . . 0.0 109.39 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.54 123.89 45.36 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.29 -0.881 . . . . 0.0 109.389 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -117.42 119.32 34.72 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 169.09 17.88 Favored Pre-proline 0 CA--C 1.532 0.268 0 O-C-N 121.256 -0.903 . . . . 0.0 109.205 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -90.41 163.48 4.47 Favored 'Trans proline' 0 N--CA 1.479 0.634 1 C-N-CA 125.388 4.059 . . . . 0.0 110.575 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -56.02 175.94 0.09 Allowed 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.301 -0.875 . . . . 0.0 109.275 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 55.22 28.95 11.9 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 121.25 -0.906 . . . . 0.0 108.851 -179.783 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -162.27 155.57 20.48 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.366 -0.834 . . . . 0.0 109.465 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.06 153.71 19.93 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.58 140.93 50.01 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.234 -1.156 . . . . 0.0 109.574 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.476 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 1.8 t80 -146.64 48.85 1.16 Allowed 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.252 -0.905 . . . . 0.0 109.569 -179.738 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.565 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 10.2 ttm180 -90.77 92.21 8.7 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.494 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.604 ' NE2' HD11 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -160.07 -164.11 1.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 120.808 -1.182 . . . . 0.0 109.691 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.604 HD11 ' NE2' ' A' ' 21' ' ' HIS . 1.7 mt 72.64 -52.75 0.7 Allowed 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -178.838 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.34 18.53 12.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.61 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 68.24 -0.45 2.16 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.497 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.91 104.35 2.29 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.114 -0.991 . . . . 0.0 109.113 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.565 ' HB2' ' HA ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -128.75 -103.68 0.31 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.97 -1.081 . . . . 0.0 109.367 179.305 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 175.57 177.61 0.19 Allowed 'General case' 0 N--CA 1.465 0.285 0 O-C-N 120.78 -1.2 . . . . 0.0 110.083 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 m -96.7 132.27 42.54 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.342 -0.849 . . . . 0.0 109.478 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.33 139.03 45.94 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.515 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -54.17 152.05 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.225 -0.922 . . . . 0.0 109.693 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.479 HD23 ' CD1' ' A' ' 90' ' ' ILE . 43.7 mt -60.2 -164.86 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.264 -0.898 . . . . 0.0 109.914 -179.709 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.63 163.51 27.25 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.243 -0.911 . . . . 0.0 109.702 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 56.87 17.79 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.416 -0.802 . . . . 0.0 109.593 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.77 177.11 5.61 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.243 -0.911 . . . . 0.0 109.324 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -160.95 -175.4 4.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.4 142.09 45.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.359 -0.838 . . . . 0.0 109.682 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.474 ' OE1' HG11 ' A' ' 42' ' ' VAL . 5.7 tt0 -153.4 64.82 0.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.326 -0.859 . . . . 0.0 109.355 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.4 -103.62 1.99 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -125.91 2.19 7.34 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.238 -1.154 . . . . 0.0 109.331 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.49 140.31 48.31 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.331 -0.856 . . . . 0.0 108.988 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.3 m -78.26 144.22 36.37 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.065 -1.022 . . . . 0.0 109.395 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.474 HG11 ' OE1' ' A' ' 37' ' ' GLU . 30.7 m -121.58 175.57 4.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 O-C-N 121.196 -0.94 . . . . 0.0 109.79 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.85 137.46 57.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.291 -0.881 . . . . 0.0 109.655 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -106.6 115.28 60.89 Favored Pre-proline 0 CA--C 1.536 0.429 0 O-C-N 121.329 -0.857 . . . . 0.0 109.485 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -89.33 -15.52 2.34 Favored 'Trans proline' 0 N--CA 1.479 0.63 0 C-N-CA 124.739 3.626 . . . . 0.0 110.168 179.75 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.28 84.53 35.34 Favored Pre-proline 0 C--N 1.331 -0.225 0 O-C-N 121.344 -0.847 . . . . 0.0 109.234 179.869 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -90.83 132.39 1.61 Allowed 'Trans proline' 0 N--CA 1.476 0.492 1 C-N-CA 125.661 4.241 . . . . 0.0 110.664 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.421 HG23 ' HG2' ' A' ' 51' ' ' GLU . 14.2 t -141.25 -158.94 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.336 -0.852 . . . . 0.0 109.256 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.86 -26.36 4.45 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.61 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -70.84 2.5 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.265 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HG2' HG23 ' A' ' 48' ' ' THR . 10.5 pt-20 -100.35 48.14 0.92 Allowed 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.428 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p30 43.08 73.57 0.14 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.421 0.629 . . . . 0.0 109.72 -178.868 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.486 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.3 OUTLIER 63.5 90.28 0.08 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 122.653 1.216 . . . . 0.0 108.587 -179.379 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.54 37.78 3.47 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 107.709 -2.157 . . . . 0.0 107.709 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.825 ' O ' HG22 ' A' ' 90' ' ' ILE . . . 128.26 -14.87 6.17 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.765 -2.134 . . . . 0.0 107.765 -178.585 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.486 ' C ' HD22 ' A' ' 53' ' ' ASN . 56.9 m -112.08 132.41 54.85 Favored 'General case' 0 N--CA 1.461 0.112 0 O-C-N 121.365 -1.079 . . . . 0.0 108.585 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.452 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -43.71 135.99 3.64 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.298 0.571 . . . . 0.0 110.298 -179.08 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.5 -34.08 56.76 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.458 -0.776 . . . . 0.0 109.741 -179.496 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.5 5.89 50.05 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.219 -0.926 . . . . 0.0 109.541 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.452 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . . . -102.0 172.32 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.142 -0.974 . . . . 0.0 109.933 -179.695 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 136.88 34.57 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.455 -0.778 . . . . 0.0 108.913 179.52 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.412 ' SG ' HD12 ' A' ' 74' ' ' ILE . 12.6 t -112.7 136.97 51.67 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.286 -0.884 . . . . 0.0 109.473 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p -123.78 140.18 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.215 -0.928 . . . . 0.0 109.447 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.93 -19.05 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.322 -0.861 . . . . 0.0 109.398 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' ' 65' ' ' GLU . 7.7 pt-20 . . . . . 0 C--N 1.33 -0.26 0 O-C-N 121.281 -0.887 . . . . 0.0 109.509 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 mttt . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 124.55 49.72 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.232 -0.918 . . . . 0.0 109.431 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.545 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.5 mm -117.33 106.8 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.265 -0.897 . . . . 0.0 109.353 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.03 157.07 17.98 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.209 -0.932 . . . . 0.0 109.542 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.0 m -136.98 152.31 50.0 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.254 -0.904 . . . . 0.0 109.364 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -165.96 109.92 0.81 Allowed 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.251 -0.906 . . . . 0.0 109.37 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 31.9 m -61.14 117.06 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.191 -0.943 . . . . 0.0 109.58 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 79' ' ' THR . 10.4 t -78.2 43.95 0.47 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.244 -0.91 . . . . 0.0 109.116 179.714 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -122.28 169.7 9.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 O-C-N 121.359 -0.838 . . . . 0.0 109.319 -179.748 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -82.13 -35.04 0.39 Allowed 'Trans proline' 0 N--CA 1.479 0.642 0 C-N-CA 124.989 3.793 . . . . 0.0 109.598 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -90.78 19.56 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.5 p -55.07 98.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.623 -0.673 . . . . 0.0 109.612 -179.725 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -127.04 71.53 75.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 O-C-N 121.314 -0.866 . . . . 0.0 109.178 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -30.05 148.18 0.02 OUTLIER 'Trans proline' 0 N--CA 1.482 0.816 1 C-N-CA 126.206 4.604 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' A' ' 91' ' ' PHE . 55.1 mt -102.47 -30.39 11.03 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.257 -0.902 . . . . 0.0 109.66 -179.806 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.597 ' CD2' HD11 ' A' ' 90' ' ' ILE . 88.6 m-85 -130.85 -18.75 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.098 -1.001 . . . . 0.0 109.709 -179.704 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 169.07 -40.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.754 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.97 23.59 0.02 OUTLIER Glycine 0 CA--C 1.528 0.902 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.825 HG22 ' O ' ' A' ' 55' ' ' GLY . 24.8 pt -96.4 -33.22 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 O-C-N 121.151 -1.205 . . . . 0.0 109.108 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.776 ' HB2' HD12 ' A' ' 86' ' ' LEU . 21.4 m-85 -136.51 120.28 17.35 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.39 -0.819 . . . . 0.0 109.383 179.755 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -164.84 0.89 Allowed 'General case' 0 N--CA 1.464 0.249 0 O-C-N 120.991 -1.068 . . . . 0.0 109.376 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.239 0 O-C-N 121.381 -0.825 . . . . 0.0 109.436 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.419 ' CD2' ' HB2' ' A' ' 93' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -92.05 4.0 54.05 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.296 -0.877 . . . . 0.0 109.363 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.3 m 55.92 -173.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.242 -0.911 . . . . 0.0 109.556 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 9' ' ' LYS . 13.4 p -153.85 -38.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 O-C-N 121.317 -0.864 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.473 ' N ' HG13 ' A' ' 8' ' ' VAL . 2.1 ttpm? -101.57 -31.87 10.64 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.293 -0.879 . . . . 0.0 109.392 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' HZ1' ' C ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -55.39 166.32 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.335 -0.853 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -155.03 56.53 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.295 -0.878 . . . . 0.0 109.564 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 m -54.8 170.92 0.32 Allowed Pre-proline 0 CA--C 1.533 0.297 0 O-C-N 121.261 -0.9 . . . . 0.0 109.338 179.826 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -88.71 161.39 6.33 Favored 'Trans proline' 0 N--CA 1.479 0.62 1 C-N-CA 125.334 4.023 . . . . 0.0 110.335 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -54.64 174.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.281 -0.887 . . . . 0.0 109.526 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.437 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 20.1 m-20 55.82 25.96 9.05 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.2 -0.937 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 t -163.56 120.9 1.82 Allowed 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.254 -0.903 . . . . 0.0 109.714 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.404 ' HA3' ' CZ ' ' A' ' 91' ' ' PHE . . . -94.5 170.49 29.8 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.93 159.4 16.06 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.237 -1.155 . . . . 0.0 109.703 -179.789 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.68 ' CE2' HD12 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -139.42 116.27 10.87 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.212 -0.93 . . . . 0.0 108.78 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.96 81.59 1.69 Allowed 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.107 -0.996 . . . . 0.0 109.795 -179.622 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.456 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 1.2 p80 -179.68 -48.81 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.182 -0.949 . . . . 0.0 110.274 179.496 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.68 HD12 ' CE2' ' A' ' 19' ' ' PHE . 12.7 mt -76.79 1.61 16.82 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.073 -1.017 . . . . 0.0 109.906 -179.432 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.52 6.24 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.29 -0.881 . . . . 0.0 108.904 179.785 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 54.1 20.08 2.37 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.46 -0.775 . . . . 0.0 109.481 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -133.57 146.15 50.73 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.288 -0.883 . . . . 0.0 109.295 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' C ' ' HZ1' ' A' ' 10' ' ' LYS . 7.3 mt-10 -92.34 125.32 36.95 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.286 -0.884 . . . . 0.0 109.423 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -136.97 162.84 32.19 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.304 -0.872 . . . . 0.0 109.529 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.8 m -119.27 97.79 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.324 -0.86 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.36 133.72 42.37 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.249 -0.907 . . . . 0.0 108.991 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.1 158.74 10.66 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.107 -0.995 . . . . 0.0 109.364 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' A' ' 87' ' ' PHE . 92.2 mt -79.86 -168.41 1.6 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.205 -0.935 . . . . 0.0 109.593 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.0 mt -68.44 157.69 35.3 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.289 -0.882 . . . . 0.0 109.398 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 59.4 15.37 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.26 -0.9 . . . . 0.0 109.47 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 19.3 m-85 -132.0 118.59 19.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.382 -0.824 . . . . 0.0 109.491 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -97.42 -173.69 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -120.49 121.72 39.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.502 -0.749 . . . . 0.0 109.61 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.79 97.56 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.334 -0.854 . . . . 0.0 109.297 179.72 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.37 -98.1 1.62 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -134.13 8.4 3.74 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.227 -1.16 . . . . 0.0 109.267 179.785 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.37 122.05 25.69 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.31 -0.869 . . . . 0.0 109.338 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.88 143.09 52.9 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.123 -0.986 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.9 m -123.81 178.37 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 O-C-N 121.124 -0.985 . . . . 0.0 109.494 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.09 134.1 42.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.234 -0.916 . . . . 0.0 109.38 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.472 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.7 t-20 -109.43 128.39 25.49 Favored Pre-proline 0 CA--C 1.536 0.418 0 O-C-N 121.331 -0.856 . . . . 0.0 109.362 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.5 Cg_endo -90.73 -15.99 1.63 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.662 3.575 . . . . 0.0 110.041 179.662 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -148.99 85.88 5.84 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 121.32 -0.862 . . . . 0.0 109.453 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -89.76 160.05 5.14 Favored 'Trans proline' 0 N--CA 1.477 0.539 1 C-N-CA 125.487 4.125 . . . . 0.0 110.102 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.511 ' HA ' HD11 ' A' ' 74' ' ' ILE . 9.6 t -152.21 -168.25 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.13 -0.981 . . . . 0.0 109.825 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.7 m -104.2 -20.63 13.74 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.284 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.0 -13.1 22.56 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' CD ' ' H ' ' A' ' 48' ' ' THR . 2.0 mt-10 -75.13 52.07 0.56 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.18 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 4.5 p-10 42.03 59.91 2.43 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.299 0.571 . . . . 0.0 109.909 -178.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.537 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.5 OUTLIER 67.0 55.89 0.69 Allowed 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -179.48 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.11 -49.7 15.27 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.9 -13.07 78.59 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.537 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.17 151.57 28.05 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.051 -1.264 . . . . 0.0 110.563 -179.507 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -94.3 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 O-C-N 121.374 -0.829 . . . . 0.0 109.722 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.81 -27.29 0.49 Allowed 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.08 -13.83 10.56 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.174 -0.954 . . . . 0.0 109.607 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.79 139.19 53.2 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.165 -0.96 . . . . 0.0 109.38 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -69.51 132.25 45.99 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.132 -0.98 . . . . 0.0 109.6 -179.821 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.16 161.02 14.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.494 -0.754 . . . . 0.0 109.327 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.78 173.85 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.269 -0.894 . . . . 0.0 109.402 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -145.52 42.93 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.239 -0.913 . . . . 0.0 109.324 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 . . . . . 0 C--N 1.33 -0.276 0 O-C-N 121.29 -0.881 . . . . 0.0 109.506 -179.992 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -147.79 155.1 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.292 -0.88 . . . . 0.0 109.558 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -140.9 149.51 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 O-C-N 121.314 -0.867 . . . . 0.0 109.164 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.38 154.05 49.01 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.181 -0.949 . . . . 0.0 109.624 -179.774 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -160.61 134.53 7.04 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.234 -0.916 . . . . 0.0 109.547 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -144.88 138.98 27.35 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.313 -0.867 . . . . 0.0 109.125 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.02 126.34 35.38 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.183 -0.948 . . . . 0.0 109.246 -179.821 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 79' ' ' THR . 3.3 t -82.67 17.18 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.287 -0.883 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -89.23 169.05 13.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 O-C-N 121.299 -0.876 . . . . 0.0 109.28 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.405 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 10.1 Cg_endo -84.95 127.86 3.62 Favored 'Trans proline' 0 N--CA 1.477 0.55 0 C-N-CA 124.868 3.712 . . . . 0.0 109.275 179.323 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER 72.81 -52.71 0.71 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.881 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.3 OUTLIER 61.08 158.87 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.468 -0.77 . . . . 0.0 110.092 179.264 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 83' ' ' SER . 54.7 m-85 -151.31 99.44 3.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 O-C-N 121.389 -0.819 . . . . 0.0 108.841 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.563 ' O ' HD23 ' A' ' 86' ' ' LEU . 9.4 Cg_endo -87.29 163.94 8.34 Favored 'Trans proline' 0 N--CA 1.478 0.594 0 C-N-CA 125.189 3.926 . . . . 0.0 110.464 -179.455 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 85' ' ' PRO . 47.6 mt -125.66 -13.09 6.54 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.292 -0.88 . . . . 0.0 109.599 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD2' HD22 ' A' ' 31' ' ' LEU . 98.8 m-85 -146.45 -13.67 0.45 Allowed 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.135 -0.978 . . . . 0.0 109.802 -179.707 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 166.64 -50.43 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.43 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . 178.43 5.97 0.02 OUTLIER Glycine 0 CA--C 1.529 0.939 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.894 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.748 HD12 ' CE1' ' A' ' 91' ' ' PHE . 0.4 OUTLIER -83.88 2.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 O-C-N 121.348 -1.089 . . . . 0.0 109.32 179.889 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.748 ' CE1' HD12 ' A' ' 90' ' ' ILE . 37.1 m-85 -141.76 49.12 1.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.161 -0.962 . . . . 0.0 109.456 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.42 -171.05 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.133 -0.98 . . . . 0.0 109.92 -179.845 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.419 ' HB2' ' CD2' ' A' ' 5' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.222 0 O-C-N 121.328 -0.857 . . . . 0.0 109.164 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.531 0.244 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -55.22 -72.05 0.07 Allowed 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.232 -0.918 . . . . 0.0 109.158 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 p 175.4 -102.77 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.04 -1.038 . . . . 0.0 109.199 179.59 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.646 HG21 ' HD3' ' A' ' 25' ' ' ARG . 50.7 t -145.25 -77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 O-C-N 121.045 -1.034 . . . . 0.0 109.442 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -155.97 -3.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -63.57 129.62 40.95 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.194 -0.941 . . . . 0.0 109.289 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -97.9 116.51 30.26 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.268 -0.895 . . . . 0.0 109.583 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -95.87 174.69 3.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.25 -0.906 . . . . 0.0 109.272 179.785 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -89.44 163.62 5.44 Favored 'Trans proline' 0 N--CA 1.477 0.5 1 C-N-CA 125.53 4.153 . . . . 0.0 110.336 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -54.78 174.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.305 -0.872 . . . . 0.0 109.422 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.849 ' HA ' HD12 ' A' ' 31' ' ' LEU . 4.6 m120 58.63 16.7 4.5 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.206 -0.934 . . . . 0.0 109.304 -179.835 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.9 t -168.3 121.8 0.88 Allowed 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.126 -0.984 . . . . 0.0 110.136 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.17 -148.97 16.76 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.267 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -142.2 143.52 32.97 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.004 -1.292 . . . . 0.0 109.827 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.453 ' CD2' ' N ' ' A' ' 20' ' ' ARG . 24.5 t80 -148.67 168.61 22.4 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 121.061 -1.024 . . . . 0.0 109.758 179.061 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.527 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 8.0 mtp180 -114.93 121.18 42.39 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 178.906 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.453 ' CG ' ' HG3' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -77.03 39.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 120.535 -1.353 . . . . 0.0 109.375 -179.637 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.708 HD11 ' OD1' ' A' ' 59' ' ' ASP . 2.2 mt 66.81 2.65 2.7 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.833 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 21' ' ' HIS . 13.6 p-10 -96.4 35.5 1.47 Allowed 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.736 -0.602 . . . . 0.0 109.617 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 71.09 -38.4 0.42 Allowed 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.5 -0.75 . . . . 0.0 110.782 179.553 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.646 ' HD3' HG21 ' A' ' 8' ' ' VAL . 2.8 mtt180 -162.97 113.11 1.4 Allowed 'General case' 0 C--N 1.333 -0.143 0 O-C-N 120.786 -1.196 . . . . 0.0 110.607 -179.693 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.527 ' HB2' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -91.97 -89.55 0.18 Allowed 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.048 -1.033 . . . . 0.0 109.852 179.312 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' H ' ' HB3' ' A' ' 26' ' ' GLU . 1.6 mt-10 166.35 -174.02 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 -179.681 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.3 m -77.41 113.58 15.35 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.431 -0.793 . . . . 0.0 109.211 179.609 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -105.35 140.75 38.01 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.217 -0.927 . . . . 0.0 108.988 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 2.8 m -60.78 161.04 8.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.076 -1.015 . . . . 0.0 109.555 -179.755 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.849 HD12 ' HA ' ' A' ' 15' ' ' ASN . 20.5 mt -78.7 -166.05 0.82 Allowed 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.196 -0.94 . . . . 0.0 109.653 -179.778 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.881 HD12 HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -70.6 156.65 39.16 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.258 -0.901 . . . . 0.0 109.678 -179.885 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 57.73 16.43 3.5 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.362 -0.836 . . . . 0.0 109.5 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 16.6 m-85 -129.52 117.79 21.04 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.405 -0.809 . . . . 0.0 109.135 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 5.3 ptmt -97.88 -175.1 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.257 -0.902 . . . . 0.0 109.339 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -127.47 132.63 49.98 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.553 -0.717 . . . . 0.0 109.445 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -139.28 74.01 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.281 -0.887 . . . . 0.0 109.389 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.58 -99.38 1.29 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -133.48 6.83 3.82 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.276 -1.132 . . . . 0.0 109.344 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -134.19 127.15 31.38 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.371 -0.83 . . . . 0.0 109.35 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.3 m -79.07 144.13 34.9 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.2 -0.937 . . . . 0.0 109.392 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.401 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 22.5 m -121.43 179.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.203 -0.936 . . . . 0.0 109.426 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.51 122.98 22.22 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.232 -0.918 . . . . 0.0 109.689 -179.92 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 14.4 t-20 -100.54 115.73 65.07 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 121.347 -0.846 . . . . 0.0 109.138 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 12.1 Cg_endo -89.08 -14.74 2.66 Favored 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 124.791 3.661 . . . . 0.0 110.36 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -131.11 89.15 42.89 Favored Pre-proline 0 CA--C 1.532 0.278 0 O-C-N 121.189 -0.944 . . . . 0.0 109.697 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -90.71 161.38 4.2 Favored 'Trans proline' 0 N--CA 1.478 0.568 1 C-N-CA 125.488 4.126 . . . . 0.0 109.792 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.866 HG21 ' CG ' ' A' ' 51' ' ' GLU . 14.4 t -140.93 -154.6 0.53 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.013 -1.055 . . . . 0.0 110.272 -179.498 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.487 ' N ' HG23 ' A' ' 48' ' ' THR . 21.4 m -152.92 -44.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.598 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -62.91 -8.47 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.408 -0.808 . . . . 0.0 109.437 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.866 ' CG ' HG21 ' A' ' 48' ' ' THR . 42.3 mm-40 -83.55 56.57 3.66 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.143 -0.973 . . . . 0.0 108.722 179.49 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 4.2 p-10 41.33 62.57 1.46 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.036 0.446 . . . . 0.0 110.512 -179.428 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.88 86.44 0.13 Allowed 'General case' 0 N--CA 1.464 0.232 0 O-C-N 121.557 -0.714 . . . . 0.0 109.8 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.44 -22.81 32.48 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 108.451 -1.86 . . . . 0.0 108.451 178.537 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.709 ' O ' HG22 ' A' ' 90' ' ' ILE . . . 160.66 11.0 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 107.546 -2.222 . . . . 0.0 107.546 -179.783 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.533 ' O ' ' O ' ' A' ' 57' ' ' ASP . 9.0 m -98.02 66.03 1.81 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 118.84 -1.144 . . . . 0.0 110.253 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.533 ' O ' ' O ' ' A' ' 56' ' ' CYS . 2.0 t0 39.12 119.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 122.335 1.064 . . . . 0.0 112.844 179.591 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.63 -17.69 0.56 Allowed 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.821 -1.175 . . . . 0.0 110.308 178.642 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.708 ' OD1' HD11 ' A' ' 22' ' ' LEU . 7.2 m-20 -104.71 -17.69 14.55 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 120.983 -1.073 . . . . 0.0 109.632 179.536 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.528 ' H ' ' HB3' ' A' ' 57' ' ' ASP . . . -83.61 141.65 31.39 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 121.125 -0.985 . . . . 0.0 109.378 179.787 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -72.04 126.39 29.66 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.241 -0.912 . . . . 0.0 109.412 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -86.55 140.7 29.64 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.195 -0.941 . . . . 0.0 109.375 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.1 142.21 40.21 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.222 -0.923 . . . . 0.0 109.634 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.22 13.17 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.274 -0.891 . . . . 0.0 109.496 -179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 C--N 1.331 -0.226 0 O-C-N 121.359 -0.838 . . . . 0.0 109.619 -179.868 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.213 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.72 138.08 40.85 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.207 -0.933 . . . . 0.0 109.509 -179.898 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 mm -122.77 141.62 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 121.239 -0.913 . . . . 0.0 109.403 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 m -148.58 150.17 32.85 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.165 -0.959 . . . . 0.0 109.631 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.465 ' SG ' HD11 ' A' ' 32' ' ' LEU . 2.8 m -107.47 158.53 17.13 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.306 -0.872 . . . . 0.0 109.239 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -150.03 94.4 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.226 -0.921 . . . . 0.0 109.451 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.8 m -66.78 112.21 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.262 -0.898 . . . . 0.0 109.507 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 79' ' ' THR . 15.4 t -80.45 44.2 0.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.263 -0.898 . . . . 0.0 109.509 -179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -126.15 168.24 14.71 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.256 -0.903 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -85.01 -42.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.479 0.63 0 C-N-CA 125.063 3.842 . . . . 0.0 109.902 179.841 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.02 18.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.341 -0.85 . . . . 0.0 108.941 179.535 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.0 p -62.01 109.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.353 -0.842 . . . . 0.0 109.663 -179.837 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -135.07 70.49 69.72 Favored Pre-proline 0 C--N 1.327 -0.384 0 O-C-N 121.375 -0.828 . . . . 0.0 109.213 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -30.84 112.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.481 0.771 1 C-N-CA 126.199 4.599 . . . . 0.0 111.093 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.11 -19.98 59.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.252 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.509 ' CG ' HD22 ' A' ' 31' ' ' LEU . 54.8 m-85 -133.13 -107.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.536 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.48 29.77 7.78 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.584 -0.697 . . . . 0.0 109.963 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.65 -16.24 40.69 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 119.616 -1.278 . . . . 0.0 110.343 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.881 HG23 HD12 ' A' ' 32' ' ' LEU . 14.6 pt -55.0 -34.66 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 121.127 -1.22 . . . . 0.0 109.374 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.804 ' CE2' HD12 ' A' ' 90' ' ' ILE . 20.2 m-85 -135.74 125.36 25.28 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.317 -0.864 . . . . 0.0 109.502 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -109.86 137.43 47.67 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.323 -0.86 . . . . 0.0 109.363 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 O-C-N 121.204 -0.935 . . . . 0.0 109.687 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.25 -11.87 17.32 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.31 -0.869 . . . . 0.0 109.284 179.813 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.71 151.14 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.451 -0.781 . . . . 0.0 109.517 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.827 HG12 ' H ' ' A' ' 9' ' ' LYS . 2.0 t -60.87 -159.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 121.29 -0.881 . . . . 0.0 110.518 -178.78 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.827 ' H ' HG12 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -80.33 60.9 3.93 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.169 -0.957 . . . . 0.0 109.347 -179.818 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.497 ' HZ3' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -66.54 -144.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.418 -0.801 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.72 101.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.142 -0.974 . . . . 0.0 109.658 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.2 m -117.35 170.82 5.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 121.255 -0.903 . . . . 0.0 109.079 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -88.9 165.28 5.95 Favored 'Trans proline' 0 N--CA 1.478 0.59 1 C-N-CA 125.433 4.089 . . . . 0.0 110.466 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -54.71 168.99 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.241 -0.912 . . . . 0.0 109.439 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.786 ' HA ' HD12 ' A' ' 31' ' ' LEU . 5.5 m120 55.15 34.79 23.38 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.289 -0.882 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -167.15 120.21 0.96 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.268 -0.895 . . . . 0.0 109.669 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.6 173.51 26.02 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.56 161.33 24.83 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.357 -1.084 . . . . 0.0 109.712 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 10.0 t80 -170.22 107.28 0.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.267 -0.896 . . . . 0.0 109.333 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 20.5 ttp85 -105.93 81.03 1.6 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.198 -0.939 . . . . 0.0 109.559 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.411 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 88.8 m-70 -154.31 -177.16 6.26 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.201 -0.937 . . . . 0.0 110.138 -179.885 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 22' ' ' LEU . 5.1 mt 71.5 -47.18 0.66 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.066 0.46 . . . . 0.0 110.158 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.45 14.88 13.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.285 -0.885 . . . . 0.0 108.645 179.703 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 55.23 19.66 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.476 -0.765 . . . . 0.0 109.222 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HB3' HH11 ' A' ' 25' ' ' ARG . 0.1 OUTLIER -128.7 160.31 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.332 -0.855 . . . . 0.0 108.972 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CB ' ' HZ3' ' A' ' 10' ' ' LYS . 43.0 mt-10 -75.04 143.68 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.205 -0.934 . . . . 0.0 109.815 -179.654 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -152.91 162.25 41.53 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.298 -0.876 . . . . 0.0 109.117 179.769 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.8 m -112.2 112.56 24.25 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.15 -0.969 . . . . 0.0 109.479 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -104.24 139.59 39.04 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.1 m -57.99 165.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 120.91 -1.119 . . . . 0.0 109.72 -179.399 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 15' ' ' ASN . 17.1 mt -76.92 -165.27 0.53 Allowed 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.282 -0.886 . . . . 0.0 109.921 -179.441 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.581 HD12 ' HB2' ' A' ' 88' ' ' ASP . 5.4 mt -71.17 154.94 41.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.313 -0.867 . . . . 0.0 109.629 -179.802 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 56.05 18.78 3.32 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.226 -0.921 . . . . 0.0 109.53 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 13.8 m-85 -126.2 117.42 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.244 -0.91 . . . . 0.0 109.316 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -103.32 -174.66 2.6 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.269 -0.894 . . . . 0.0 109.312 179.786 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -103.93 140.42 37.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.584 -0.697 . . . . 0.0 109.514 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' OE1' HG11 ' A' ' 42' ' ' VAL . 2.1 tt0 -151.88 102.9 2.87 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.194 -0.941 . . . . 0.0 109.347 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.8 -95.46 0.91 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.34 -3.15 2.18 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.312 -1.111 . . . . 0.0 109.444 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.69 134.95 49.59 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.229 -0.92 . . . . 0.0 109.007 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.3 m -69.96 140.25 52.97 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.12 -0.987 . . . . 0.0 109.362 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.409 HG11 ' OE1' ' A' ' 37' ' ' GLU . 22.2 m -111.43 175.37 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 O-C-N 121.154 -0.966 . . . . 0.0 109.807 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.29 134.48 34.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.566 -0.709 . . . . 0.0 109.709 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.435 HD21 ' C ' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -122.14 120.04 28.44 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 121.297 -0.877 . . . . 0.0 109.251 179.786 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -89.31 -16.53 2.1 Favored 'Trans proline' 0 N--CA 1.478 0.616 0 C-N-CA 124.698 3.599 . . . . 0.0 110.201 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.435 ' C ' HD21 ' A' ' 44' ' ' ASN . 1.3 p-10 -127.36 85.93 59.79 Favored Pre-proline 0 CA--C 1.531 0.238 0 O-C-N 121.25 -0.906 . . . . 0.0 109.296 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -88.88 173.96 4.03 Favored 'Trans proline' 0 N--CA 1.478 0.562 1 C-N-CA 125.352 4.035 . . . . 0.0 110.23 -179.846 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.586 HG23 ' N ' ' A' ' 49' ' ' CYS . 10.1 t -151.57 -134.31 0.06 Allowed 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.157 -0.964 . . . . 0.0 109.863 -179.774 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.586 ' N ' HG23 ' A' ' 48' ' ' THR . 13.3 m -145.38 -42.95 0.22 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.345 -0.847 . . . . 0.0 108.872 -179.672 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -65.83 -0.55 2.29 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.562 -0.711 . . . . 0.0 109.523 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.541 ' HG2' HG21 ' A' ' 48' ' ' THR . 72.5 mm-40 -95.7 56.96 1.82 Allowed 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.206 -0.934 . . . . 0.0 108.693 179.542 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 4.1 p-10 41.39 69.48 0.34 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.183 0.516 . . . . 0.0 110.651 -179.452 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 3.4 t-20 59.98 87.49 0.08 Allowed 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.322 -0.862 . . . . 0.0 108.931 179.785 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -88.04 39.17 3.12 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 107.962 -2.055 . . . . 0.0 107.962 178.565 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.428 ' O ' HG23 ' A' ' 90' ' ' ILE . . . 128.51 -15.2 6.06 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 107.851 -2.1 . . . . 0.0 107.851 -178.848 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ASP . 35.1 m -111.29 113.63 26.24 Favored 'General case' 0 N--CA 1.463 0.175 0 O-C-N 121.534 -0.98 . . . . 0.0 108.985 179.308 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.455 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 33.4 t0 -29.48 138.83 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.378 0.608 . . . . 0.0 111.894 -179.157 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.88 -29.61 42.36 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.52 -0.738 . . . . 0.0 109.114 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.62 -13.89 33.49 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.468 -0.77 . . . . 0.0 109.172 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.412 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -90.74 156.72 17.87 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 121.184 -0.948 . . . . 0.0 109.729 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.428 ' CD ' ' H ' ' A' ' 62' ' ' CYS . 0.0 OUTLIER -79.05 167.9 20.42 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.35 -0.843 . . . . 0.0 109.517 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.428 ' H ' ' CD ' ' A' ' 61' ' ' LYS . 53.3 t -138.44 137.31 37.09 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.273 -0.892 . . . . 0.0 109.431 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -125.57 139.76 53.32 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.21 -0.931 . . . . 0.0 109.407 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.92 1.32 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.415 -0.803 . . . . 0.0 109.364 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' H ' ' CD ' ' A' ' 65' ' ' GLU . 1.4 mp0 . . . . . 0 C--N 1.33 -0.271 0 O-C-N 121.451 -0.781 . . . . 0.0 109.723 -179.703 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -111.63 125.26 53.75 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.27 -0.894 . . . . 0.0 109.467 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.476 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.8 OUTLIER -122.37 118.54 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 O-C-N 121.22 -0.925 . . . . 0.0 109.318 179.915 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.19 154.79 21.87 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.237 -0.914 . . . . 0.0 109.646 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.9 m -121.34 140.16 52.47 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.289 -0.882 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -140.19 107.28 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.155 -0.966 . . . . 0.0 109.51 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.03 104.5 8.63 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.264 -0.898 . . . . 0.0 109.242 179.842 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 79' ' ' THR . 13.8 t -76.12 44.76 0.33 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.258 -0.901 . . . . 0.0 109.566 -179.737 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -121.81 168.69 10.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.208 -0.932 . . . . 0.0 109.237 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -87.11 -46.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 125.167 3.912 . . . . 0.0 109.844 179.813 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -82.88 19.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.387 -0.821 . . . . 0.0 108.79 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 t -56.6 110.79 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.532 -0.73 . . . . 0.0 109.45 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -141.59 70.17 25.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 O-C-N 121.321 -0.862 . . . . 0.0 109.21 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -31.08 122.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.766 1 C-N-CA 126.168 4.578 . . . . 0.0 111.078 -179.879 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.542 HD12 ' CB ' ' A' ' 91' ' ' PHE . 29.1 mt -79.75 -2.88 45.09 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.215 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.555 ' CB ' HD11 ' A' ' 90' ' ' ILE . 82.4 m-85 -151.93 -110.92 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.581 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -110.01 24.35 13.13 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.675 179.54 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.93 55.14 0.79 Allowed Glycine 0 CA--C 1.53 1.003 0 C-N-CA 119.707 -1.235 . . . . 0.0 110.208 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.555 HD11 ' CB ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -128.0 -18.56 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 O-C-N 121.131 -1.217 . . . . 0.0 109.221 179.339 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.542 ' CB ' HD12 ' A' ' 86' ' ' LEU . 32.1 m-85 -137.66 57.6 1.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.325 -0.859 . . . . 0.0 109.508 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.0 m -62.03 -164.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.148 -0.97 . . . . 0.0 109.393 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 O-C-N 121.22 -0.925 . . . . 0.0 109.352 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.53 ' HA ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 121.068 0.461 . . . . 0.0 109.98 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.92 89.61 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.036 -1.04 . . . . 0.0 109.579 179.792 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.5 m -80.06 164.46 23.38 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.308 -0.87 . . . . 0.0 109.384 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.48 -126.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 O-C-N 121.173 -0.954 . . . . 0.0 109.434 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -69.6 -88.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.167 -0.958 . . . . 0.0 109.329 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? 57.35 -166.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.232 -0.917 . . . . 0.0 109.399 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -154.14 76.84 1.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.167 -0.958 . . . . 0.0 109.523 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.3 m -89.77 116.1 65.52 Favored Pre-proline 0 CA--C 1.538 0.494 0 O-C-N 121.236 -0.915 . . . . 0.0 109.28 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -87.13 177.43 3.93 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 124.433 3.422 . . . . 0.0 110.453 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.75 177.15 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.254 -0.904 . . . . 0.0 109.552 -179.877 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 56.8 19.06 4.16 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.278 -0.889 . . . . 0.0 109.404 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t -173.58 128.18 0.42 Allowed 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.211 -0.931 . . . . 0.0 109.449 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.06 163.32 12.92 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.32 161.69 30.2 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.291 -1.123 . . . . 0.0 109.669 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -167.28 116.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.28 -0.887 . . . . 0.0 109.328 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.53 ' H ' ' HA ' ' A' ' 5' ' ' HIS . 1.3 ttt180 -68.26 113.37 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.297 -0.877 . . . . 0.0 109.048 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.32 140.41 27.12 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.361 -0.837 . . . . 0.0 109.542 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.696 ' H ' HD12 ' A' ' 22' ' ' LEU . 6.4 mp -65.15 -5.02 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.347 -0.846 . . . . 0.0 109.498 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.75 32.95 2.68 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.224 -0.922 . . . . 0.0 109.306 179.722 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 63.09 24.84 14.67 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.22 -0.925 . . . . 0.0 109.55 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -112.8 176.5 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.21 -0.931 . . . . 0.0 109.11 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -136.47 123.12 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.21 -0.931 . . . . 0.0 109.474 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.27 161.92 41.85 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.291 -0.881 . . . . 0.0 109.507 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 m -102.35 115.21 30.08 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.312 -0.867 . . . . 0.0 109.359 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -93.3 139.85 30.19 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.177 -0.952 . . . . 0.0 108.927 179.641 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.9 m -56.14 163.49 1.57 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.133 -0.98 . . . . 0.0 109.421 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.516 HD22 ' CD2' ' A' ' 87' ' ' PHE . 69.4 mt -82.95 -169.16 2.37 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' CD1' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -70.25 156.89 38.64 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.205 -0.934 . . . . 0.0 109.453 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 m120 60.55 14.71 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.26 -0.9 . . . . 0.0 109.287 -179.716 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 12.7 m-85 -129.74 117.28 20.04 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.474 -0.766 . . . . 0.0 109.285 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -103.4 -170.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.326 -0.858 . . . . 0.0 109.349 179.899 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -109.45 142.78 39.97 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.657 -0.652 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -154.7 68.56 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.269 -0.895 . . . . 0.0 109.483 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.39 -111.34 3.68 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -119.73 8.72 11.23 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.291 -1.123 . . . . 0.0 109.481 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.81 133.64 27.24 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.295 -0.878 . . . . 0.0 109.212 179.799 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.3 m -70.62 138.04 50.46 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.147 -0.971 . . . . 0.0 109.396 -179.785 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.472 HG23 ' HG3' ' A' ' 35' ' ' LYS . 34.1 m -108.81 179.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 121.256 -0.902 . . . . 0.0 109.405 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -77.27 129.91 36.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.28 -0.887 . . . . 0.0 109.308 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 11.0 t-20 -94.31 113.04 59.84 Favored Pre-proline 0 CA--C 1.535 0.375 0 O-C-N 121.419 -0.8 . . . . 0.0 109.396 -179.845 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 11.8 Cg_endo -89.04 -15.4 2.5 Favored 'Trans proline' 0 N--CA 1.476 0.492 0 C-N-CA 124.852 3.701 . . . . 0.0 109.971 179.753 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -136.89 80.87 35.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 121.407 -0.808 . . . . 0.0 109.462 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -88.73 112.89 0.66 Allowed 'Trans proline' 0 N--CA 1.478 0.604 1 C-N-CA 125.422 4.082 . . . . 0.0 110.047 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.544 HG22 ' N ' ' A' ' 49' ' ' CYS . 53.1 m -103.51 164.5 11.62 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.275 -0.891 . . . . 0.0 109.696 -179.404 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.707 ' SG ' HD12 ' A' ' 74' ' ' ILE . 57.6 m -115.97 -35.66 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.303 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -66.38 -7.79 21.37 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.72 52.48 2.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.82 63.81 1.22 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.036 0.446 . . . . 0.0 111.173 -179.58 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.67 80.44 0.21 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.378 -0.826 . . . . 0.0 109.28 179.037 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.36 -55.88 24.54 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.496 ' O ' HG22 ' A' ' 90' ' ' ILE . . . -151.49 15.81 0.85 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 108.576 -1.81 . . . . 0.0 108.576 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.67 171.17 14.92 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 118.024 -1.47 . . . . 0.0 108.767 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.37 130.91 48.37 Favored 'General case' 0 C--O 1.225 -0.214 0 O-C-N 120.834 -1.166 . . . . 0.0 108.246 179.787 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.73 -35.64 56.26 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.688 -0.632 . . . . 0.0 110.045 -179.037 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.35 0.37 54.12 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.061 -1.024 . . . . 0.0 109.477 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.62 -179.16 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.366 -0.834 . . . . 0.0 109.987 -179.653 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -116.4 123.4 47.47 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.382 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.6 t -79.42 136.65 37.01 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.268 -0.895 . . . . 0.0 109.217 -179.786 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.47 151.99 39.98 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.206 -0.934 . . . . 0.0 109.692 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -131.63 14.87 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.313 -0.867 . . . . 0.0 109.159 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 C--N 1.331 -0.224 0 O-C-N 121.365 -0.835 . . . . 0.0 109.682 -179.947 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 121.367 0.603 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -58.42 154.68 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.378 -0.826 . . . . 0.0 109.61 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.707 HD12 ' SG ' ' A' ' 49' ' ' CYS . 5.8 mm -130.44 136.41 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 O-C-N 121.371 -0.83 . . . . 0.0 109.206 -179.825 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.45 142.88 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.142 -0.974 . . . . 0.0 109.599 -179.855 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 57.4 m -96.7 160.01 14.61 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.282 -0.886 . . . . 0.0 109.409 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -143.6 101.04 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.346 -0.846 . . . . 0.0 109.108 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 125.85 29.97 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.25 -0.906 . . . . 0.0 109.109 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.441 HG23 ' H ' ' A' ' 79' ' ' THR . 0.1 OUTLIER -91.51 -5.85 53.49 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.245 -0.91 . . . . 0.0 109.716 -179.687 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 169.16 13.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 121.213 -0.929 . . . . 0.0 109.402 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.41 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 14.3 Cg_endo -89.56 -49.18 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.621 1 C-N-CA 125.319 4.013 . . . . 0.0 110.238 179.846 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.41 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -83.77 21.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.329 -0.857 . . . . 0.0 109.082 179.787 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.29 121.12 16.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.492 -0.755 . . . . 0.0 109.421 -179.849 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -140.87 75.09 25.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 121.35 -0.844 . . . . 0.0 109.406 -179.692 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -30.67 115.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.482 0.832 1 C-N-CA 126.097 4.531 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.528 HD11 ' CD2' ' A' ' 5' ' ' HIS . 24.6 mt -75.47 -38.73 59.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.52 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.516 ' CD2' HD22 ' A' ' 31' ' ' LEU . 6.8 m-85 -105.7 -104.01 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -121.4 26.95 8.57 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 121.771 -0.581 . . . . 0.0 109.643 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.15 -18.65 13.96 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 119.674 -1.25 . . . . 0.0 110.241 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.738 HD12 ' CE2' ' A' ' 91' ' ' PHE . 1.7 pt -61.51 -20.97 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 O-C-N 120.928 -1.337 . . . . 0.0 109.457 -179.723 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.738 ' CE2' HD12 ' A' ' 90' ' ' ILE . 18.9 m-85 -138.96 92.69 2.62 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.108 -0.995 . . . . 0.0 109.627 179.814 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 25.0 m -83.17 63.18 7.03 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.068 -1.02 . . . . 0.0 109.399 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.457 ' HB3' HD21 ' A' ' 86' ' ' LEU . 26.8 t . . . . . 0 C--N 1.329 -0.288 0 O-C-N 121.197 -0.939 . . . . 0.0 109.544 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.451 ' CG ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.56 98.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.393 -0.817 . . . . 0.0 109.484 -179.836 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.4 m -72.23 152.48 42.18 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.327 -0.858 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 9' ' ' LYS . 11.2 t -78.06 -121.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.214 -0.929 . . . . 0.0 109.444 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' N ' HG12 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -76.66 58.42 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.256 -0.903 . . . . 0.0 109.488 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.95 -72.76 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.284 -0.885 . . . . 0.0 109.383 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 62.37 165.23 0.1 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.252 -0.905 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.12 158.86 0.69 Allowed Pre-proline 0 CA--C 1.534 0.35 0 O-C-N 121.117 -0.989 . . . . 0.0 109.648 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -31.1 152.41 0.02 OUTLIER 'Trans proline' 0 N--CA 1.483 0.87 1 C-N-CA 126.486 4.791 . . . . 0.0 111.739 -178.917 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.79 177.84 2.88 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 121.393 -0.817 . . . . 0.0 109.126 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m120 56.74 21.65 6.14 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -179.222 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 14.8 t -151.77 146.77 25.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.271 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.11 150.29 17.19 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.58 164.6 26.4 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.156 -1.203 . . . . 0.0 108.91 179.675 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 53.3 t80 -156.4 99.11 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.045 -1.035 . . . . 0.0 110.021 -179.36 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HA ' ' CB ' ' A' ' 26' ' ' GLU . 1.7 ttp180 -72.13 -111.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.284 -0.885 . . . . 0.0 108.859 179.142 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.504 ' CD2' ' CE1' ' A' ' 19' ' ' PHE . 15.5 m-70 58.44 -153.77 0.37 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.436 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 1.0 OUTLIER 58.73 12.22 2.13 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.372 -0.83 . . . . 0.0 109.507 -179.852 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.9 -42.1 0.3 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -162.69 12.31 0.07 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 121.14 -0.975 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . 2.4 mtp180 -112.19 116.66 30.81 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 120.864 -1.147 . . . . 0.0 109.73 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.4 ' CB ' ' HA ' ' A' ' 20' ' ' ARG . 2.0 mp0 -113.76 151.87 31.37 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.311 -0.868 . . . . 0.0 109.516 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -153.71 164.14 38.8 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.193 -0.942 . . . . 0.0 109.865 179.876 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -103.45 108.31 19.51 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.474 -0.766 . . . . 0.0 108.981 179.783 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.15 136.88 48.69 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.281 -0.887 . . . . 0.0 109.23 -179.563 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.417 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 3.5 m -54.34 159.06 2.11 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.179 -0.95 . . . . 0.0 109.929 -179.507 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.8 mt -75.98 -164.77 0.4 Allowed 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.396 -0.815 . . . . 0.0 109.971 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.592 ' HG ' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -70.68 154.75 41.56 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 121.398 -0.814 . . . . 0.0 110.009 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 59.72 12.52 2.98 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.479 -0.763 . . . . 0.0 109.924 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.416 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 23.5 m-85 -126.28 121.34 32.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.299 -0.875 . . . . 0.0 109.403 179.805 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -101.24 -170.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.311 -0.868 . . . . 0.0 108.964 179.372 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -119.93 130.87 55.01 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.569 -0.707 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -145.16 114.89 7.29 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.241 -0.912 . . . . 0.0 109.551 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.57 -102.23 1.09 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.8 13.3 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.271 -1.135 . . . . 0.0 109.435 -179.829 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -143.32 133.91 25.01 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.235 -0.916 . . . . 0.0 109.355 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.96 151.79 45.2 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.156 -0.965 . . . . 0.0 109.17 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.514 HG23 ' HG3' ' A' ' 35' ' ' LYS . 31.1 m -129.17 168.92 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 121.274 -0.891 . . . . 0.0 109.607 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -69.38 116.04 9.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.139 -0.976 . . . . 0.0 109.438 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 35' ' ' LYS . 7.0 t-20 -79.85 123.72 83.65 Favored Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 121.268 -0.895 . . . . 0.0 109.335 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -90.28 -15.58 1.91 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 124.705 3.603 . . . . 0.0 110.1 179.688 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -146.41 90.09 5.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 O-C-N 121.33 -0.856 . . . . 0.0 109.671 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -89.15 132.64 2.29 Favored 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 125.284 3.989 . . . . 0.0 109.675 179.594 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.887 HG21 ' CG ' ' A' ' 51' ' ' GLU . 7.5 t -112.22 -162.33 0.79 Allowed 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.223 -0.923 . . . . 0.0 110.166 -179.305 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' N ' HG23 ' A' ' 48' ' ' THR . 61.1 m -151.5 -35.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.892 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -68.31 -1.49 6.4 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.887 ' CG ' HG21 ' A' ' 48' ' ' THR . 66.2 mm-40 -97.64 50.38 1.05 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.257 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 p30 41.6 72.79 0.15 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.715 -179.293 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.805 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER 70.66 81.6 0.16 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.755 0.788 . . . . 0.0 110.115 179.55 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.49 -58.07 16.49 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 178.858 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.634 ' O ' HG22 ' A' ' 90' ' ' ILE . . . -141.34 12.73 2.77 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.538 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.805 ' C ' HD22 ' A' ' 53' ' ' ASN . 36.0 m -77.8 -164.64 0.53 Allowed 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.916 -1.344 . . . . 0.0 109.255 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 60.6 t0 -54.26 -98.65 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.318 -0.864 . . . . 0.0 110.201 179.442 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -161.93 -47.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.726 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -100.67 -9.84 21.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.814 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.38 168.15 15.02 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.676 -0.64 . . . . 0.0 109.672 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -99.96 119.54 38.4 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.302 -0.874 . . . . 0.0 109.207 179.707 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.3 t -79.68 140.48 37.01 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.234 -0.916 . . . . 0.0 109.481 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.73 148.26 52.49 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.282 -0.886 . . . . 0.0 109.163 179.739 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -141.99 -0.22 1.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.153 -0.967 . . . . 0.0 109.677 -179.808 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 CA--C 1.531 0.231 0 O-C-N 121.08 -1.013 . . . . 0.0 109.503 -179.849 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 143.26 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.205 -0.934 . . . . 0.0 109.312 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.3 mm -139.94 116.43 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 121.228 -0.92 . . . . 0.0 109.616 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.75 158.52 21.73 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.24 -0.913 . . . . 0.0 109.206 179.776 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 92.2 m -130.64 111.46 12.23 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.202 -0.936 . . . . 0.0 109.558 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.17 91.73 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.164 -0.96 . . . . 0.0 108.773 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.04 137.25 34.35 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.172 -0.955 . . . . 0.0 110.629 -178.857 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 79' ' ' THR . 5.9 m -125.81 81.97 2.03 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.869 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -136.69 170.43 10.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.088 -1.007 . . . . 0.0 109.604 -179.709 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -92.83 139.42 1.74 Allowed 'Trans proline' 0 N--CA 1.477 0.529 1 C-N-CA 125.597 4.198 . . . . 0.0 110.235 179.691 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.78 3.87 2.69 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.217 -0.927 . . . . 0.0 109.598 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.422 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 11.9 m -95.98 135.44 37.74 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 121.214 -0.929 . . . . 0.0 108.814 179.826 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 83' ' ' SER . 16.3 m-85 -150.13 145.83 19.31 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 121.242 -0.911 . . . . 0.0 108.913 -179.602 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -35.36 100.76 0.03 OUTLIER 'Trans proline' 0 N--CA 1.483 0.911 1 C-N-CA 125.496 4.131 . . . . 0.0 109.741 179.609 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.451 HD11 ' CG ' ' A' ' 5' ' ' HIS . 80.9 mt -88.46 -20.25 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.227 -0.921 . . . . 0.0 110.027 -179.017 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.663 ' CD2' HD11 ' A' ' 90' ' ' ILE . 96.5 m-85 -143.69 -42.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.031 -1.043 . . . . 0.0 110.241 -179.349 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.41 15.33 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.272 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 138.87 -21.56 3.01 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 119.214 -1.469 . . . . 0.0 111.02 179.286 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.663 HD11 ' CD2' ' A' ' 87' ' ' PHE . 1.5 pt -63.26 -7.98 3.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 119.945 -1.915 . . . . 0.0 108.749 179.514 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 79.9 m-85 -154.47 93.26 1.57 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.827 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.52 -176.51 3.07 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.811 -1.18 . . . . 0.0 112.069 -177.342 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 83' ' ' SER . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.189 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.547 179.608 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.214 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -54.84 -87.27 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.228 -0.92 . . . . 0.0 109.384 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.68 -170.37 1.99 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.221 -0.925 . . . . 0.0 109.52 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.85 -45.76 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 O-C-N 121.275 -0.891 . . . . 0.0 109.631 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -171.57 99.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.186 -0.946 . . . . 0.0 109.668 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.13 158.12 27.05 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.318 -0.864 . . . . 0.0 109.414 179.843 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.94 158.51 18.65 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.253 -0.905 . . . . 0.0 109.495 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 4.8 t -157.12 142.12 12.26 Favored Pre-proline 0 CA--C 1.536 0.422 0 O-C-N 121.311 -0.868 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 21.5 Cg_endo -89.98 159.2 4.92 Favored 'Trans proline' 0 N--CA 1.479 0.632 0 C-N-CA 124.549 3.499 . . . . 0.0 110.344 179.652 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -55.6 175.64 0.08 Allowed 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.242 -0.911 . . . . 0.0 109.419 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.856 ' HA ' HD12 ' A' ' 31' ' ' LEU . 1.3 m-20 55.55 36.71 27.71 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.209 -0.932 . . . . 0.0 109.33 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -164.45 118.51 1.39 Allowed 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.252 -0.905 . . . . 0.0 109.568 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.35 156.03 22.02 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.41 154.77 20.93 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.102 -1.234 . . . . 0.0 109.555 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -163.97 134.44 4.3 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.284 -0.885 . . . . 0.0 109.412 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -74.61 147.04 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.234 -0.916 . . . . 0.0 109.174 179.847 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.53 ' C ' ' H ' ' A' ' 23' ' ' ASP . 6.1 m170 -77.48 13.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.168 -0.957 . . . . 0.0 109.647 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 21' ' ' HIS . 3.1 mm? 64.35 -10.09 0.15 Allowed 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.71 -0.619 . . . . 0.0 110.022 -179.119 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.53 ' H ' ' C ' ' A' ' 21' ' ' HIS . 35.1 p-10 -116.95 45.69 1.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.158 -0.964 . . . . 0.0 109.18 179.829 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 71.65 -42.14 0.52 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.739 -0.601 . . . . 0.0 110.063 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -61.85 145.65 52.05 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.008 -1.058 . . . . 0.0 109.509 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -121.18 138.79 54.05 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.231 -0.918 . . . . 0.0 109.129 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.63 178.03 7.9 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.146 -0.971 . . . . 0.0 109.658 -179.801 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.33 121.81 33.64 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.316 -0.865 . . . . 0.0 109.449 -179.893 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -104.2 137.7 41.74 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.23 -0.919 . . . . 0.0 108.904 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.5 m -54.34 162.3 1.12 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.199 -0.938 . . . . 0.0 109.638 -179.639 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 15' ' ' ASN . 16.5 mt -74.6 -166.8 0.48 Allowed 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.336 -0.852 . . . . 0.0 109.876 -179.481 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HG ' HG21 ' A' ' 90' ' ' ILE . 4.4 mt -71.56 155.55 40.42 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.293 -0.88 . . . . 0.0 109.408 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 m120 57.03 18.4 3.98 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.238 -0.914 . . . . 0.0 109.351 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.405 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 22.9 m-85 -128.71 118.88 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.358 -0.839 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.43 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -97.19 -171.33 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.265 -0.897 . . . . 0.0 109.219 179.783 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -133.53 129.69 37.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.549 -0.72 . . . . 0.0 109.345 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -138.64 95.21 2.94 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.232 -0.917 . . . . 0.0 109.496 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.09 -97.57 2.27 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.626 -1.389 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -138.8 13.16 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.252 -1.146 . . . . 0.0 109.57 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.47 130.03 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.224 -0.922 . . . . 0.0 109.5 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.1 m -77.13 151.72 35.24 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.314 -0.866 . . . . 0.0 109.514 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.43 HG23 ' HG3' ' A' ' 35' ' ' LYS . 31.7 m -132.35 177.84 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 121.129 -0.982 . . . . 0.0 109.24 179.765 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.48 115.99 15.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.093 -1.004 . . . . 0.0 109.374 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.428 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.3 t-20 -78.04 128.05 79.84 Favored Pre-proline 0 CA--C 1.535 0.374 0 O-C-N 121.334 -0.854 . . . . 0.0 109.339 -179.906 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 18.3 Cg_endo -90.93 -15.98 1.54 Allowed 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 124.721 3.614 . . . . 0.0 110.071 179.764 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.04 84.22 4.11 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.216 -0.927 . . . . 0.0 109.646 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -90.72 163.17 4.16 Favored 'Trans proline' 0 N--CA 1.476 0.494 1 C-N-CA 125.539 4.159 . . . . 0.0 109.921 179.778 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.492 HG22 ' CG ' ' A' ' 51' ' ' GLU . 10.7 t -163.03 -162.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.127 -0.983 . . . . 0.0 109.823 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.5 m -102.43 -25.07 13.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.381 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -13.42 20.57 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.003 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.492 ' CG ' HG22 ' A' ' 48' ' ' THR . 2.1 mt-10 -75.78 49.36 0.52 Allowed 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.208 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p30 41.24 61.99 1.62 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.102 0.477 . . . . 0.0 109.963 -178.952 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.408 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.8 OUTLIER 69.5 56.24 0.36 Allowed 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.145 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -46.2 12.37 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 179.796 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.52 -18.21 74.04 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.721 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.408 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.46 172.45 6.88 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.134 -1.215 . . . . 0.0 110.233 -179.893 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.391 -0.818 . . . . 0.0 109.501 179.91 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.53 -10.33 0.3 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.394 -0.816 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.41 -15.86 2.78 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.274 -0.891 . . . . 0.0 109.524 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.53 176.66 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.106 -0.996 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.14 121.75 42.38 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.156 -0.965 . . . . 0.0 109.433 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.4 t -90.67 149.32 22.12 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.31 -0.869 . . . . 0.0 109.515 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.75 150.11 35.63 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.248 -0.908 . . . . 0.0 109.526 -179.862 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -135.74 15.57 3.36 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.256 -0.903 . . . . 0.0 109.362 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.33 -0.248 0 O-C-N 121.307 -0.871 . . . . 0.0 109.621 -179.826 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 121.295 0.569 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.81 145.16 24.78 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.199 -0.938 . . . . 0.0 109.244 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -137.68 116.01 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 121.195 -0.941 . . . . 0.0 109.601 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.07 177.75 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.325 -0.86 . . . . 0.0 109.318 179.892 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.31 162.25 40.12 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.239 -0.913 . . . . 0.0 110.149 -179.892 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -153.52 103.03 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.833 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -76.59 102.07 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.257 -0.902 . . . . 0.0 109.342 -179.716 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -77.33 42.62 0.35 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.272 -0.892 . . . . 0.0 109.671 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -122.31 168.36 11.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 121.218 -0.926 . . . . 0.0 109.295 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 11.2 Cg_endo -87.41 -44.49 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.581 0 C-N-CA 125.14 3.894 . . . . 0.0 110.08 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.403 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 2.8 m-20 -81.93 15.81 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.248 -0.908 . . . . 0.0 109.199 179.681 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.3 p -63.65 104.81 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.336 -0.852 . . . . 0.0 109.515 -179.855 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.517 ' H ' ' H ' ' A' ' 93' ' ' SER . 6.9 m-85 -127.01 69.57 73.56 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.273 -0.892 . . . . 0.0 109.228 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -32.2 150.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.481 0.741 1 C-N-CA 126.168 4.579 . . . . 0.0 110.807 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 91' ' ' PHE . 74.6 mt -117.9 -46.33 2.64 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.235 -0.915 . . . . 0.0 109.594 -179.87 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -108.82 -13.16 14.81 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.145 -0.972 . . . . 0.0 109.531 -179.758 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 166.82 -48.56 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.58 8.29 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.662 HD12 ' CE2' ' A' ' 91' ' ' PHE . 1.5 pt -89.23 17.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 O-C-N 121.23 -1.159 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.662 ' CE2' HD12 ' A' ' 90' ' ' ILE . 70.6 m-85 -154.2 37.89 0.44 Allowed 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.317 -0.864 . . . . 0.0 109.436 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.4 m -56.01 116.16 2.83 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.123 -0.985 . . . . 0.0 109.378 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.517 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 O-C-N 121.25 -0.906 . . . . 0.0 109.417 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.455 ' CE1' ' ND1' ' A' ' 21' ' ' HIS . 1.8 m-70 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -67.15 -108.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.298 -0.876 . . . . 0.0 109.347 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.02 162.35 0.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.334 -0.854 . . . . 0.0 109.012 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.757 HG11 HH11 ' A' ' 20' ' ' ARG . 0.9 OUTLIER -164.12 123.96 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 O-C-N 121.044 -1.035 . . . . 0.0 109.88 -179.681 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mttt 53.28 55.52 8.65 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.417 -0.802 . . . . 0.0 109.749 179.649 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -166.6 125.86 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.203 -0.936 . . . . 0.0 109.509 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -121.28 89.02 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.291 -0.881 . . . . 0.0 109.271 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.0 173.38 2.62 Favored Pre-proline 0 CA--C 1.532 0.258 0 O-C-N 121.161 -0.962 . . . . 0.0 108.874 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -89.36 165.34 5.45 Favored 'Trans proline' 0 N--CA 1.478 0.57 1 C-N-CA 125.343 4.028 . . . . 0.0 110.587 -179.827 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -57.05 175.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.319 -0.863 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.771 ' HA ' HD12 ' A' ' 31' ' ' LEU . 3.8 m120 55.25 26.33 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.192 -0.942 . . . . 0.0 109.282 -179.915 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.52 163.15 40.14 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.255 -0.903 . . . . 0.0 109.501 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.81 -168.94 11.95 Favored Glycine 0 CA--C 1.532 1.097 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.0 t -111.44 153.64 25.82 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.103 -1.233 . . . . 0.0 110.154 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.525 ' CE1' ' CD1' ' A' ' 91' ' ' PHE . 0.3 OUTLIER -148.51 106.47 3.71 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.754 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.757 HH11 HG11 ' A' ' 8' ' ' VAL . 29.9 ttp180 -128.96 85.3 2.31 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.11 -0.994 . . . . 0.0 110.413 -179.157 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.48 ' NE2' ' CZ ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 177.97 -179.61 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.56 -0.712 . . . . 0.0 109.384 179.065 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 mt 65.95 3.9 2.79 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.771 0.796 . . . . 0.0 109.694 -179.768 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' H ' ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -171.0 4.89 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.588 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.418 ' H ' ' H ' ' A' ' 23' ' ' ASP . 19.3 mt-10 51.64 23.62 2.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.245 0.545 . . . . 0.0 109.611 -179.905 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -110.8 169.56 8.68 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.23 -0.919 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' OE2' HG13 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -115.57 125.79 53.41 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.232 -0.918 . . . . 0.0 109.6 -179.808 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -145.63 159.36 43.26 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.233 -0.917 . . . . 0.0 109.672 179.831 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 69.7 m -109.9 126.79 54.23 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.384 -0.822 . . . . 0.0 109.275 179.77 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -107.19 176.34 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.22 -0.925 . . . . 0.0 108.76 179.695 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.419 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 4.1 m -98.36 158.71 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 120.995 -1.065 . . . . 0.0 108.757 179.474 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 15' ' ' ASN . 40.9 mt -73.77 -169.18 0.68 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.068 -1.02 . . . . 0.0 109.632 -179.582 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.795 ' HG ' HG22 ' A' ' 90' ' ' ILE . 2.1 mt -71.81 158.14 36.63 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.222 -0.924 . . . . 0.0 109.139 179.769 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 59.2 16.56 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.259 -0.9 . . . . 0.0 109.157 -179.757 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.408 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 14.1 m-85 -129.8 118.64 22.1 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.419 -0.8 . . . . 0.0 109.381 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.49 -174.31 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.192 -0.943 . . . . 0.0 109.169 179.574 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.82 148.81 26.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.524 -0.735 . . . . 0.0 109.581 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.62 ' OE1' HG11 ' A' ' 42' ' ' VAL . 52.7 tt0 -160.32 113.14 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.178 -0.951 . . . . 0.0 109.474 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.8 -92.63 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -139.07 -0.02 1.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.195 -1.179 . . . . 0.0 109.584 -179.84 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -129.29 133.98 47.73 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.22 -0.925 . . . . 0.0 109.529 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 55.6 m -70.73 137.81 50.0 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.211 -0.93 . . . . 0.0 109.235 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.62 HG11 ' OE1' ' A' ' 37' ' ' GLU . 21.5 m -110.34 179.35 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 121.204 -0.935 . . . . 0.0 109.674 -179.902 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.22 142.69 41.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.396 -0.815 . . . . 0.0 109.29 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.84 65.91 37.07 Favored Pre-proline 0 C--N 1.332 -0.175 0 O-C-N 121.242 -0.911 . . . . 0.0 109.707 -179.753 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -36.49 -31.17 0.1 OUTLIER 'Trans proline' 0 N--CA 1.481 0.756 1 C-N-CA 125.803 4.335 . . . . 0.0 110.407 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -128.72 98.72 24.21 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 121.332 -0.855 . . . . 0.0 109.549 -179.741 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -86.44 169.56 8.26 Favored 'Trans proline' 0 N--CA 1.481 0.737 0 C-N-CA 125.006 3.804 . . . . 0.0 109.964 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.789 HG21 ' HG3' ' A' ' 51' ' ' GLU . 12.5 t -152.53 -142.58 0.12 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.045 -1.035 . . . . 0.0 110.055 -179.605 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.593 ' N ' HG23 ' A' ' 48' ' ' THR . 73.2 m -148.94 -46.17 0.14 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.621 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -68.52 4.68 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.568 -0.708 . . . . 0.0 110.137 -179.534 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.789 ' HG3' HG21 ' A' ' 48' ' ' THR . 80.4 mt-10 -108.74 58.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.049 -1.032 . . . . 0.0 108.757 179.605 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.74 75.95 0.08 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.113 0.483 . . . . 0.0 110.092 -179.425 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.498 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER 63.75 92.14 0.07 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 122.386 1.089 . . . . 0.0 108.866 -179.608 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.472 ' HA3' ' H ' ' A' ' 48' ' ' THR . . . -87.77 24.3 10.99 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 107.928 -2.069 . . . . 0.0 107.928 179.595 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.464 ' O ' HD21 ' A' ' 32' ' ' LEU . . . 127.93 -5.08 6.94 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -178.902 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.498 ' C ' HD22 ' A' ' 53' ' ' ASN . 99.1 m -111.01 132.51 54.16 Favored 'General case' 0 CA--C 1.526 0.057 0 O-C-N 121.232 -1.158 . . . . 0.0 108.909 179.471 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 56' ' ' CYS . 0.0 OUTLIER -28.62 123.49 0.12 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.417 0.627 . . . . 0.0 111.431 -179.261 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.9 -26.91 39.05 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.321 -0.862 . . . . 0.0 109.896 -179.31 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.29 -4.58 51.5 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.276 -0.89 . . . . 0.0 109.223 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.435 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . . . -91.34 -179.32 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.325 -0.859 . . . . 0.0 110.026 -179.777 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -102.66 103.8 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.209 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.7 t -84.73 131.57 34.55 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.476 -0.765 . . . . 0.0 109.305 -179.633 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.87 147.01 46.24 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.123 -0.986 . . . . 0.0 109.834 -179.47 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.06 11.29 8.87 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.343 -0.848 . . . . 0.0 109.403 179.907 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--N 1.33 -0.24 0 O-C-N 121.264 -0.898 . . . . 0.0 109.675 -179.799 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.0 104.94 15.17 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.284 -0.885 . . . . 0.0 109.387 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -145.45 135.79 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 O-C-N 121.372 -0.83 . . . . 0.0 109.404 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.4 145.83 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.214 -0.929 . . . . 0.0 109.664 -179.891 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 m -119.29 119.22 33.38 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.261 -0.899 . . . . 0.0 109.381 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -129.22 108.41 10.32 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 13.3 m -72.41 97.88 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.225 -0.922 . . . . 0.0 109.141 179.796 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 t -62.36 -10.78 12.31 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.234 -0.916 . . . . 0.0 109.494 -179.776 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 171.77 0.28 Allowed Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 121.171 -0.956 . . . . 0.0 109.731 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -92.03 137.07 1.75 Allowed 'Trans proline' 0 N--CA 1.476 0.45 1 C-N-CA 125.615 4.21 . . . . 0.0 109.626 179.505 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.01 12.98 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.061 -1.024 . . . . 0.0 108.878 -179.514 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.2 p -67.66 128.39 36.29 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.497 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 5.6 m-85 -141.99 101.41 5.84 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 121.191 -0.943 . . . . 0.0 109.288 -179.135 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.497 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 23.4 Cg_exo -32.4 116.55 0.08 OUTLIER 'Trans proline' 0 N--CA 1.483 0.887 1 C-N-CA 125.393 4.062 . . . . 0.0 111.212 -179.487 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.52 -48.08 61.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.062 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.727 ' CD1' HD11 ' A' ' 90' ' ' ILE . 62.9 m-85 -103.95 -117.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.971 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.544 ' HB3' HD12 ' A' ' 32' ' ' LEU . 25.8 t0 -106.82 32.24 4.71 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.422 -0.799 . . . . 0.0 109.485 179.356 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.75 15.21 13.67 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 119.613 -1.279 . . . . 0.0 110.288 179.5 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.795 HG22 ' HG ' ' A' ' 32' ' ' LEU . 1.4 pt -88.11 -27.49 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 120.847 -1.384 . . . . 0.0 109.125 179.811 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.525 ' CD1' ' CE1' ' A' ' 19' ' ' PHE . 21.7 m-85 -130.19 175.12 9.17 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.678 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.4 m -138.67 124.7 20.05 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.9 -1.125 . . . . 0.0 109.324 179.812 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.41 ' H ' ' H ' ' A' ' 84' ' ' TYR . 5.8 t . . . . . 0 C--N 1.329 -0.284 0 O-C-N 121.235 -0.916 . . . . 0.0 109.436 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.7 mm -84.06 134.15 27.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 O-C-N 121.222 -0.923 . . . . 0.0 109.485 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.4 -179.42 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.172 -0.955 . . . . 0.0 109.421 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -80.01 17.38 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.259 -0.901 . . . . 0.0 109.404 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.91 5.79 35.93 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.266 -0.897 . . . . 0.0 109.362 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -60.76 -48.71 80.58 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.257 -0.902 . . . . 0.0 109.291 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 66.03 144.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.292 -0.88 . . . . 0.0 109.45 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.3 p -179.79 101.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.163 -0.961 . . . . 0.0 109.517 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 175.08 -41.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.296 -0.878 . . . . 0.0 109.427 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -98.04 -155.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.31 -0.869 . . . . 0.0 109.305 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -143.26 136.0 27.59 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.046 -1.034 . . . . 0.0 109.987 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 t -116.31 137.26 23.37 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -86.34 176.51 4.92 Favored 'Trans proline' 0 N--CA 1.484 0.933 0 C-N-CA 124.394 3.396 . . . . 0.0 110.955 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -59.85 169.91 1.3 Allowed 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.328 -0.858 . . . . 0.0 109.28 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.856 ' HA ' HD12 ' A' ' 31' ' ' LEU . 57.5 m-20 54.54 25.39 6.2 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 5.0 m -160.38 147.33 15.83 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.588 -0.695 . . . . 0.0 109.501 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.07 163.82 22.29 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.82 162.9 15.26 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.235 -1.156 . . . . 0.0 109.617 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 46.8 t80 -168.02 137.34 2.52 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.229 -0.919 . . . . 0.0 109.537 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 110.32 19.66 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.248 -0.907 . . . . 0.0 109.139 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.579 ' CE1' ' HE ' ' A' ' 25' ' ' ARG . 11.4 m-70 -54.35 142.14 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.319 -0.863 . . . . 0.0 109.584 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.966 ' H ' HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -66.69 -6.97 17.66 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.421 -0.8 . . . . 0.0 109.151 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.97 23.11 6.69 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.3 -0.875 . . . . 0.0 109.421 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 65.58 57.07 0.89 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.197 -0.939 . . . . 0.0 109.636 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.579 ' HE ' ' CE1' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -150.95 128.19 11.25 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.223 -0.923 . . . . 0.0 109.249 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -89.84 127.78 36.05 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.18 -0.95 . . . . 0.0 109.437 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.87 168.34 23.26 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.252 -0.905 . . . . 0.0 109.603 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.3 115.43 22.31 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' NZ ' HD21 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -102.14 143.38 32.02 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.286 -0.884 . . . . 0.0 109.63 -179.112 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 2.8 m -60.78 152.38 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.197 -0.94 . . . . 0.0 109.899 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 15' ' ' ASN . 36.8 mt -59.96 -165.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.542 -0.723 . . . . 0.0 110.053 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.37 162.22 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.38 -0.825 . . . . 0.0 109.731 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 58.07 15.47 3.23 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.344 -0.847 . . . . 0.0 109.711 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.403 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 20.7 m-85 -124.57 165.07 18.49 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.249 -0.907 . . . . 0.0 109.417 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -150.71 -172.22 4.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -112.07 143.64 42.75 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.521 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -166.81 86.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.255 -0.903 . . . . 0.0 109.53 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.72 -113.66 4.75 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.42 11.69 8.68 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.28 -1.129 . . . . 0.0 109.44 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -146.18 142.62 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.327 -0.858 . . . . 0.0 109.148 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 77.7 m -73.3 145.23 46.19 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.224 -0.923 . . . . 0.0 109.372 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.464 HG23 ' HG3' ' A' ' 35' ' ' LYS . 35.1 m -121.17 173.55 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 121.194 -0.941 . . . . 0.0 109.819 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.85 148.21 52.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.248 -0.908 . . . . 0.0 109.528 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.93 68.49 25.37 Favored Pre-proline 0 CA--C 1.531 0.218 0 O-C-N 121.34 -0.85 . . . . 0.0 109.816 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -35.52 -33.34 0.1 Allowed 'Trans proline' 0 N--CA 1.482 0.802 1 C-N-CA 125.815 4.343 . . . . 0.0 110.474 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -137.0 93.01 13.7 Favored Pre-proline 0 CA--C 1.533 0.303 0 O-C-N 121.342 -0.849 . . . . 0.0 109.441 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -90.2 148.19 4.53 Favored 'Trans proline' 0 N--CA 1.477 0.541 1 C-N-CA 125.362 4.042 . . . . 0.0 110.347 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 t -134.2 -167.07 1.9 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.239 -0.913 . . . . 0.0 109.45 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -111.66 -26.12 9.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -70.38 1.61 4.79 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 121.347 -0.846 . . . . 0.0 108.737 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -99.78 51.24 0.92 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.96 73.08 0.14 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.232 0.539 . . . . 0.0 110.546 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.47 HD21 ' NZ ' ' A' ' 29' ' ' LYS . 6.1 t30 59.68 85.14 0.11 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.809 0.814 . . . . 0.0 109.003 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.79 43.94 2.57 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.93 -17.66 5.68 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 108.029 -2.029 . . . . 0.0 108.029 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' ASP . 38.6 m -111.82 110.79 21.33 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.481 -1.011 . . . . 0.0 109.159 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.452 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 31.8 t0 -28.03 136.77 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.401 0.619 . . . . 0.0 111.958 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.93 -32.74 61.52 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -15.78 49.28 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.408 -0.807 . . . . 0.0 108.931 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -91.93 174.46 7.32 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.209 -0.932 . . . . 0.0 109.453 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -99.43 168.59 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.327 -0.858 . . . . 0.0 109.294 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.2 t -132.8 141.63 48.58 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.251 -0.905 . . . . 0.0 109.237 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.84 140.69 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.165 -0.959 . . . . 0.0 109.551 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.37 -3.11 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.288 -0.883 . . . . 0.0 109.439 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -73.31 66.05 0.9 Allowed 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.375 -0.828 . . . . 0.0 109.419 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -159.5 14.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.296 -0.877 . . . . 0.0 109.362 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.44 ' HB3' ' H ' ' A' ' 73' ' ' LYS . 4.9 p -99.91 -167.68 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.282 -0.887 . . . . 0.0 109.634 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.86 40.13 0.02 OUTLIER Glycine 0 CA--C 1.532 1.096 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.48 -167.89 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.226 -1.161 . . . . 0.0 109.502 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.57 -7.78 53.27 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.267 -0.896 . . . . 0.0 109.462 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.31 81.1 0.35 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -61.06 178.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.253 -1.145 . . . . 0.0 109.602 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' H ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -131.03 165.59 22.87 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.289 -0.882 . . . . 0.0 109.128 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.85 128.5 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 O-C-N 121.246 -0.908 . . . . 0.0 109.559 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -120.46 160.32 23.37 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.351 -0.843 . . . . 0.0 109.394 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 69.7 m -124.21 143.78 50.32 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.268 -0.895 . . . . 0.0 108.935 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -140.27 110.9 6.78 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.05 -1.031 . . . . 0.0 109.934 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -88.88 105.53 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.312 -0.868 . . . . 0.0 109.054 179.465 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -72.09 -18.54 61.91 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.272 -0.893 . . . . 0.0 110.029 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -54.57 168.03 0.53 Allowed Pre-proline 0 CA--C 1.533 0.315 0 O-C-N 121.114 -0.991 . . . . 0.0 109.543 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.408 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 11.6 Cg_endo -87.99 -41.59 0.05 OUTLIER 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 125.285 3.99 . . . . 0.0 110.155 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.408 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 1.3 t70 -80.5 17.87 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.221 -0.925 . . . . 0.0 109.015 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 78' ' ' CYS . 53.0 p -55.18 108.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.504 -0.747 . . . . 0.0 109.755 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -143.83 68.78 16.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 O-C-N 121.309 -0.87 . . . . 0.0 108.993 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -31.17 119.27 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.743 1 C-N-CA 126.324 4.682 . . . . 0.0 111.083 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 91' ' ' PHE . 25.0 mt -76.71 -19.91 57.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.595 ' CD2' HD11 ' A' ' 90' ' ' ILE . 96.6 m-85 -132.08 -106.65 0.26 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -113.5 23.42 13.19 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.012 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.89 41.61 1.8 Allowed Glycine 0 CA--C 1.531 1.069 0 C-N-CA 119.736 -1.221 . . . . 0.0 110.343 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.595 HD11 ' CD2' ' A' ' 87' ' ' PHE . 2.4 pt -111.82 -21.3 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 121.027 -1.278 . . . . 0.0 109.245 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.631 ' HB2' HD12 ' A' ' 86' ' ' LEU . 33.9 m-85 -137.0 63.79 1.56 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.327 -0.858 . . . . 0.0 109.558 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 18.7 m -61.8 118.87 7.75 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.319 -0.863 . . . . 0.0 109.39 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.23 133.2 49.16 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.199 -0.938 . . . . 0.0 109.375 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 p 176.13 111.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.232 -0.918 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 p -175.34 153.34 1.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.248 -0.908 . . . . 0.0 109.447 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.456 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -176.94 141.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 121.296 -0.877 . . . . 0.0 109.381 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -134.21 84.9 2.15 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.19 -0.944 . . . . 0.0 109.514 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -78.13 169.88 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.242 -0.911 . . . . 0.0 109.438 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.415 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 2.3 p-80 -58.03 -39.18 77.74 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.387 -0.82 . . . . 0.0 109.782 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 66.41 137.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.313 -0.867 . . . . 0.0 109.651 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 m -135.13 5.05 3.26 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.131 -0.981 . . . . 0.0 109.486 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.548 HG12 ' N ' ' A' ' 9' ' ' LYS . 14.2 t 57.29 -124.29 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 121.224 -0.923 . . . . 0.0 109.402 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.548 ' N ' HG12 ' A' ' 8' ' ' VAL . 1.8 ttpt -100.24 44.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.281 -0.887 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HB3' ' HZ2' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -114.95 120.32 39.51 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.242 -0.911 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -130.11 117.0 19.29 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.212 -0.93 . . . . 0.0 109.592 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -93.21 175.89 2.86 Favored Pre-proline 0 CA--C 1.533 0.293 0 O-C-N 121.335 -0.853 . . . . 0.0 109.231 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 12' ' ' CYS . 11.9 Cg_endo -88.05 172.37 5.33 Favored 'Trans proline' 0 N--CA 1.479 0.621 0 C-N-CA 125.283 3.988 . . . . 0.0 110.576 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -54.4 171.52 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.288 -0.882 . . . . 0.0 109.511 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.853 ' HA ' HD12 ' A' ' 31' ' ' LEU . 11.1 m-80 56.67 18.74 3.84 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.254 -0.903 . . . . 0.0 109.251 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.3 t -163.41 157.45 19.92 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.227 -0.921 . . . . 0.0 109.662 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.73 158.23 27.75 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 109.354 -1.499 . . . . 0.0 109.354 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 p -73.08 160.38 32.12 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.143 -1.21 . . . . 0.0 109.201 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.508 ' CE1' ' CD2' ' A' ' 21' ' ' HIS . 19.5 t80 -157.38 104.97 2.05 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.14 -0.975 . . . . 0.0 109.625 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -83.11 -115.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.371 -0.831 . . . . 0.0 109.114 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.508 ' CD2' ' CE1' ' A' ' 19' ' ' PHE . 20.4 m-70 59.59 -157.14 0.33 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.835 HD12 ' HB3' ' A' ' 25' ' ' ARG . 5.6 mt 60.12 15.33 5.1 Favored 'General case' 0 C--O 1.225 -0.216 0 O-C-N 121.159 -0.963 . . . . 0.0 109.179 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 76.4 -42.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -161.45 8.98 0.08 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.107 -0.996 . . . . 0.0 110.692 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.835 ' HB3' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -96.51 103.96 15.91 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 120.719 -1.238 . . . . 0.0 109.571 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -115.24 138.05 51.36 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.339 -0.851 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -163.64 164.87 23.86 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.239 -0.913 . . . . 0.0 109.471 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 m -95.0 107.56 19.61 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.254 -0.904 . . . . 0.0 109.33 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' HZ1' ' HA2' ' A' ' 55' ' ' GLY . 18.6 tttt -104.69 143.28 33.31 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.251 -0.906 . . . . 0.0 109.104 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.0 m -60.99 162.09 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.131 -0.981 . . . . 0.0 109.546 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 15' ' ' ASN . 44.8 mt -69.52 -167.61 0.14 Allowed 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.153 -0.967 . . . . 0.0 109.737 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HG ' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -71.64 156.07 39.8 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.358 -0.839 . . . . 0.0 109.422 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 57.89 17.09 4.04 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.413 -0.804 . . . . 0.0 109.42 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.42 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 17.2 m-85 -127.63 121.63 30.98 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.453 -0.779 . . . . 0.0 109.231 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.432 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -100.66 -177.67 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.273 -0.892 . . . . 0.0 109.131 179.62 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -126.94 129.55 48.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.402 -0.811 . . . . 0.0 109.449 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -146.63 97.28 2.89 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.258 -0.901 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.05 -99.8 2.41 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.76 4.03 2.09 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.258 -1.143 . . . . 0.0 109.415 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm -133.43 129.67 37.61 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.334 -0.854 . . . . 0.0 109.363 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -76.57 145.49 38.95 Favored 'General case' 0 C--N 1.33 -0.283 0 O-C-N 121.243 -0.911 . . . . 0.0 109.424 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.432 HG22 ' HG3' ' A' ' 35' ' ' LYS . 24.0 m -121.46 -179.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 121.273 -0.892 . . . . 0.0 109.397 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.21 137.25 42.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.199 -0.938 . . . . 0.0 109.344 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -124.58 67.37 48.9 Favored Pre-proline 0 C--N 1.331 -0.234 0 O-C-N 121.252 -0.905 . . . . 0.0 109.671 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -35.32 -32.75 0.09 OUTLIER 'Trans proline' 0 N--CA 1.482 0.833 1 C-N-CA 125.891 4.394 . . . . 0.0 110.37 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -120.59 95.98 48.95 Favored Pre-proline 0 CA--C 1.535 0.379 0 O-C-N 121.339 -0.85 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -84.83 174.95 7.12 Favored 'Trans proline' 0 N--CA 1.48 0.693 0 C-N-CA 125.013 3.809 . . . . 0.0 110.334 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.868 HG21 ' CG ' ' A' ' 51' ' ' GLU . 12.9 t -140.0 -159.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.19 -0.944 . . . . 0.0 109.963 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.447 ' N ' HG23 ' A' ' 48' ' ' THR . 38.5 m -145.35 -38.81 0.25 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -69.33 3.18 2.39 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.484 -0.76 . . . . 0.0 109.706 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.868 ' CG ' HG21 ' A' ' 48' ' ' THR . 79.3 mm-40 -105.45 60.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.149 -0.969 . . . . 0.0 108.943 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 40.07 72.15 0.16 Allowed 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.001 0.429 . . . . 0.0 110.873 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 22.2 t-20 58.69 80.98 0.17 Allowed 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.408 -0.808 . . . . 0.0 109.631 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.99 92.6 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 107.745 -2.142 . . . . 0.0 107.745 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' H ' ' H ' ' A' ' 56' ' ' CYS . . . -160.45 -4.74 0.05 OUTLIER Glycine 0 CA--C 1.523 0.545 0 N-CA-C 107.404 -2.279 . . . . 0.0 107.404 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.446 ' H ' ' H ' ' A' ' 55' ' ' GLY . 73.6 m -111.61 120.6 42.63 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.728 -0.866 . . . . 0.0 109.09 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.444 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -26.25 131.21 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.434 0.635 . . . . 0.0 111.877 -179.209 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.95 -30.26 58.48 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.298 -0.876 . . . . 0.0 109.256 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -89.39 -6.79 56.28 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.379 -0.826 . . . . 0.0 109.223 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.3 160.05 14.63 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.285 -0.884 . . . . 0.0 109.735 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.66 165.34 24.38 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.392 -0.817 . . . . 0.0 109.133 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.1 t -140.16 134.86 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.247 -0.908 . . . . 0.0 109.533 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p -124.34 139.17 54.16 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.19 -0.944 . . . . 0.0 109.493 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.18 17.79 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.352 -0.842 . . . . 0.0 109.652 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.451 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 35.6 mt-10 -53.5 141.53 24.93 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.342 -0.849 . . . . 0.0 109.706 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -55.07 -34.62 63.75 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.302 -0.873 . . . . 0.0 109.561 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 m 58.71 -94.74 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.255 -0.903 . . . . 0.0 109.47 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.31 88.49 0.07 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -143.67 -94.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.258 -1.143 . . . . 0.0 109.439 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -136.89 -48.88 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.19 -0.944 . . . . 0.0 109.448 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -133.12 -116.94 1.77 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.24 137.83 43.5 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.183 -1.187 . . . . 0.0 109.34 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -119.71 114.18 21.78 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.178 -0.951 . . . . 0.0 109.534 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -101.59 141.41 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 121.335 -0.853 . . . . 0.0 109.154 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.04 156.72 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.093 -1.005 . . . . 0.0 109.726 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 m -123.49 143.04 50.42 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.386 -0.821 . . . . 0.0 109.224 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -146.39 96.82 2.84 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.166 -0.959 . . . . 0.0 109.458 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.6 m -73.31 128.88 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.31 -0.869 . . . . 0.0 109.455 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 79' ' ' THR . 14.1 t -93.14 36.17 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.317 -0.864 . . . . 0.0 109.348 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -111.21 168.29 7.81 Favored Pre-proline 0 CA--C 1.532 0.285 0 O-C-N 121.224 -0.922 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -85.91 -35.44 0.14 Allowed 'Trans proline' 0 N--CA 1.478 0.569 0 C-N-CA 125.085 3.857 . . . . 0.0 109.895 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -89.92 20.37 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.36 -0.837 . . . . 0.0 108.907 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.8 t -53.31 102.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.546 -0.722 . . . . 0.0 109.605 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -139.36 74.97 34.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 O-C-N 121.312 -0.868 . . . . 0.0 109.077 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -31.4 113.36 0.05 OUTLIER 'Trans proline' 0 N--CA 1.481 0.76 1 C-N-CA 126.071 4.514 . . . . 0.0 111.026 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.595 HD12 ' HB2' ' A' ' 91' ' ' PHE . 72.0 mt -68.32 -10.43 54.76 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -153.39 -109.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -104.2 19.64 19.79 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.618 -0.676 . . . . 0.0 110.053 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.25 21.29 7.4 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 119.484 -1.341 . . . . 0.0 110.349 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.782 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.4 pt -89.09 -29.57 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 O-C-N 121.043 -1.269 . . . . 0.0 109.004 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.782 ' CE2' HD12 ' A' ' 90' ' ' ILE . 13.2 m-85 -136.21 101.78 4.8 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.338 -0.851 . . . . 0.0 109.225 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.1 80.72 7.58 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.056 -1.028 . . . . 0.0 109.616 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.458 ' OG ' HD11 ' A' ' 86' ' ' LEU . 50.8 p -114.69 -92.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.312 -0.867 . . . . 0.0 109.27 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.0 m -148.5 169.22 20.75 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.266 -0.896 . . . . 0.0 109.345 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 m -106.95 -97.7 0.36 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.272 -0.893 . . . . 0.0 109.421 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.434 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.6 p30 . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.601 ' H ' HD13 ' A' ' 2' ' ' ILE . 0.1 OUTLIER -92.83 -148.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 O-C-N 121.255 -0.903 . . . . 0.0 109.424 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p 175.31 16.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.25 -0.906 . . . . 0.0 109.474 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.556 ' HB2' ' H ' ' A' ' 94' ' ' SER . 29.4 mt-30 -144.11 147.83 34.28 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.296 -0.878 . . . . 0.0 109.587 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.637 ' HB2' ' HE1' ' A' ' 21' ' ' HIS . 7.7 t-80 55.96 93.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.336 -0.853 . . . . 0.0 109.577 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -140.76 54.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.309 -0.869 . . . . 0.0 109.364 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 p -57.87 155.48 10.41 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.156 -0.965 . . . . 0.0 109.356 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.731 HG12 ' H ' ' A' ' 9' ' ' LYS . 1.9 t -58.35 -175.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 O-C-N 121.292 -0.88 . . . . 0.0 109.676 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.731 ' H ' HG12 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -74.32 50.95 0.42 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.315 -0.866 . . . . 0.0 109.563 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -55.28 -37.98 68.02 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.291 -0.88 . . . . 0.0 109.306 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 55.88 90.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.285 -0.884 . . . . 0.0 109.459 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.75 172.93 5.82 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 121.153 -0.967 . . . . 0.0 109.013 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -87.66 169.54 6.78 Favored 'Trans proline' 0 N--CA 1.479 0.623 1 C-N-CA 125.381 4.054 . . . . 0.0 110.595 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.1 168.03 0.25 Allowed 'General case' 0 C--N 1.332 -0.158 0 O-C-N 121.328 -0.858 . . . . 0.0 109.425 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.899 ' HA ' HD12 ' A' ' 31' ' ' LEU . 31.8 m-20 55.34 30.02 14.06 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.213 -0.93 . . . . 0.0 109.128 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -164.96 123.85 1.76 Allowed 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.297 -0.877 . . . . 0.0 109.907 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -104.45 -160.75 24.17 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 109.224 -1.551 . . . . 0.0 109.224 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.3 t -122.2 141.49 51.41 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.121 -1.223 . . . . 0.0 109.661 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 4.4 t80 -150.02 145.32 26.34 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.509 ' HA ' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -155.82 80.09 1.01 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.341 -0.849 . . . . 0.0 108.766 -179.241 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.637 ' HE1' ' HB2' ' A' ' 5' ' ' HIS . 54.8 m80 -149.07 -32.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.051 -1.031 . . . . 0.0 110.64 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.0 mp -53.51 -22.91 8.98 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.249 -0.907 . . . . 0.0 110.128 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.37 19.37 1.54 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 60.43 16.22 6.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.0 45.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.509 ' CB ' ' HA ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -68.55 -130.1 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.753 -0.592 . . . . 0.0 110.169 -179.154 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -174.99 -168.26 0.33 Allowed 'General case' 0 C--O 1.233 0.187 0 O-C-N 120.666 -1.271 . . . . 0.0 109.671 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.6 m -69.65 132.12 45.67 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.515 -0.74 . . . . 0.0 109.351 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 138.78 54.4 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.213 -0.93 . . . . 0.0 108.798 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.8 m -54.49 159.18 2.17 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.045 -1.035 . . . . 0.0 109.521 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.899 HD12 ' HA ' ' A' ' 15' ' ' ASN . 34.6 mt -69.54 -167.36 0.13 Allowed 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.241 -0.912 . . . . 0.0 110.166 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 157.44 38.08 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 121.464 -0.773 . . . . 0.0 109.654 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 57.71 16.26 3.39 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.265 -0.897 . . . . 0.0 109.475 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.448 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 13.6 m-85 -127.57 115.92 19.55 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.394 -0.816 . . . . 0.0 109.792 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' H ' ' HG2' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -104.09 177.69 4.77 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.157 -0.965 . . . . 0.0 108.8 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -98.82 144.8 27.64 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.146 -0.971 . . . . 0.0 109.434 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -150.2 76.84 1.29 Allowed 'General case' 0 C--N 1.332 -0.182 0 O-C-N 121.168 -0.957 . . . . 0.0 109.613 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.31 -80.26 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.2 -10.53 0.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.212 -1.17 . . . . 0.0 109.572 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -118.9 130.51 55.77 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.257 -0.902 . . . . 0.0 109.173 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.6 m -73.03 125.79 28.47 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.057 -1.027 . . . . 0.0 109.493 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.453 HG22 ' HG3' ' A' ' 35' ' ' LYS . 2.5 m -101.96 -178.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 121.287 -0.883 . . . . 0.0 109.718 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -79.42 138.41 37.61 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.601 -0.687 . . . . 0.0 109.504 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -123.81 66.45 38.3 Favored Pre-proline 0 C--N 1.332 -0.189 0 O-C-N 121.198 -0.939 . . . . 0.0 109.589 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -34.61 -32.89 0.07 OUTLIER 'Trans proline' 0 N--CA 1.482 0.814 1 C-N-CA 126.005 4.47 . . . . 0.0 110.738 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.96 90.78 50.36 Favored Pre-proline 0 CA--C 1.533 0.317 0 O-C-N 121.252 -0.905 . . . . 0.0 109.739 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -91.47 158.54 3.64 Favored 'Trans proline' 0 N--CA 1.477 0.543 1 C-N-CA 125.393 4.062 . . . . 0.0 110.393 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.418 HG23 ' HG2' ' A' ' 51' ' ' GLU . 6.7 t -133.42 -164.33 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.17 -0.956 . . . . 0.0 109.573 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.404 ' N ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -123.86 -24.45 4.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.679 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -69.94 1.0 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HG2' HG23 ' A' ' 48' ' ' THR . 14.3 pt-20 -98.51 50.07 0.99 Allowed 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 42.41 72.34 0.18 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.384 0.611 . . . . 0.0 109.7 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.502 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.1 OUTLIER 64.52 91.09 0.08 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 122.837 1.303 . . . . 0.0 108.35 -179.197 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -105.23 38.35 3.34 Favored Glycine 0 CA--C 1.518 0.245 0 N-CA-C 107.624 -2.19 . . . . 0.0 107.624 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 133.12 -19.62 4.33 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 107.432 -2.267 . . . . 0.0 107.432 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.502 ' C ' HD22 ' A' ' 53' ' ' ASN . 56.6 m -112.5 128.42 56.33 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.459 -1.024 . . . . 0.0 108.7 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -45.9 140.21 3.78 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.309 0.576 . . . . 0.0 110.354 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.0 -32.52 47.03 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.618 -0.676 . . . . 0.0 109.264 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -16.05 36.03 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.318 -0.864 . . . . 0.0 109.198 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.19 162.34 18.38 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.265 -0.897 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -89.95 153.95 20.22 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.301 -0.874 . . . . 0.0 109.039 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 36.9 t -124.42 132.0 53.51 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.18 -0.95 . . . . 0.0 109.445 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -116.68 139.66 50.29 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.239 -0.913 . . . . 0.0 109.362 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.37 19.49 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.224 -0.923 . . . . 0.0 109.669 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -53.37 118.76 4.08 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.376 -0.828 . . . . 0.0 109.661 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -55.47 164.76 0.93 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.247 -0.908 . . . . 0.0 109.658 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.88 -0.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.298 -0.876 . . . . 0.0 109.414 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.9 114.08 0.51 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.1 m -55.06 160.53 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.221 -1.164 . . . . 0.0 109.422 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.6 t30 58.14 64.56 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.265 -0.897 . . . . 0.0 109.43 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 141.38 109.44 0.77 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.41 148.48 22.77 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.251 -1.147 . . . . 0.0 109.412 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -112.27 130.86 55.79 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.293 -0.879 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.77 124.99 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 O-C-N 121.274 -0.892 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.68 163.6 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.23 -0.919 . . . . 0.0 109.525 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -135.97 114.31 11.62 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.219 -0.926 . . . . 0.0 109.452 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -112.04 98.77 7.57 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.216 -0.927 . . . . 0.0 109.224 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 34.6 m -59.77 153.47 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.21 -0.932 . . . . 0.0 109.702 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 t -104.75 10.22 34.7 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.349 -0.845 . . . . 0.0 109.111 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -71.06 154.55 94.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 O-C-N 121.318 -0.864 . . . . 0.0 108.99 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -37.35 -92.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.482 0.844 0 C-N-CA 125.275 3.984 . . . . 0.0 110.004 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -90.93 -2.93 57.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 120.759 -1.213 . . . . 0.0 107.776 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.401 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER 61.34 156.73 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.331 0.586 . . . . 0.0 109.673 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 83' ' ' SER . 67.0 m-85 -152.8 59.44 2.86 Favored Pre-proline 0 C--N 1.33 -0.273 0 O-C-N 120.863 -1.148 . . . . 0.0 109.757 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -36.85 110.94 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.761 1 C-N-CA 125.783 4.322 . . . . 0.0 110.482 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.78 HD12 ' CB ' ' A' ' 91' ' ' PHE . 22.9 mt -76.59 -6.54 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -153.7 -108.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -112.48 18.13 18.7 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.544 -0.723 . . . . 0.0 109.772 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.52 -18.08 8.8 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 119.638 -1.267 . . . . 0.0 110.206 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.406 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -55.14 -37.13 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 121.11 -1.23 . . . . 0.0 109.429 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.78 ' CB ' HD12 ' A' ' 86' ' ' LEU . 13.5 m-85 -130.84 123.77 29.8 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.134 -0.979 . . . . 0.0 109.089 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 94.56 4.87 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.147 -0.97 . . . . 0.0 109.469 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.608 ' O ' HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -170.97 -168.0 0.61 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.266 -0.896 . . . . 0.0 109.422 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.556 ' H ' ' HB2' ' A' ' 4' ' ' GLN . 1.4 m 55.1 -167.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.25 -0.906 . . . . 0.0 109.525 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 96.4 p -139.6 157.69 45.37 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.246 -0.909 . . . . 0.0 109.358 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.397 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.5 m120 . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.52 76.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 121.312 -0.868 . . . . 0.0 109.376 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 p -134.14 -7.45 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.223 -0.923 . . . . 0.0 109.431 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.06 -95.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.27 -0.894 . . . . 0.0 109.401 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.404 ' CE1' HD21 ' A' ' 86' ' ' LEU . 28.8 p-80 -71.45 -4.13 24.86 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.261 -0.899 . . . . 0.0 109.414 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.49 92.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.21 -0.931 . . . . 0.0 109.399 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 m -54.54 143.03 25.57 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.279 -0.888 . . . . 0.0 109.271 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.674 HG23 ' OE2' ' A' ' 26' ' ' GLU . 39.0 t -59.44 -74.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 121.133 -0.98 . . . . 0.0 109.499 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -138.31 54.26 1.78 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.163 -0.961 . . . . 0.0 109.692 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HZ2' ' HB2' ' A' ' 18' ' ' CYS . 1.7 mmmp? -91.78 147.32 23.07 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.194 -0.941 . . . . 0.0 109.234 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -144.42 69.44 1.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.133 -0.979 . . . . 0.0 109.721 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -69.28 173.69 3.61 Favored Pre-proline 0 CA--C 1.532 0.274 0 O-C-N 121.205 -0.934 . . . . 0.0 109.05 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -88.18 169.88 6.07 Favored 'Trans proline' 0 N--CA 1.478 0.571 1 C-N-CA 125.335 4.024 . . . . 0.0 110.619 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -53.97 173.25 0.07 Allowed 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.358 -0.839 . . . . 0.0 109.616 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.779 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER 54.88 31.42 15.74 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.322 -0.861 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.66 139.75 3.14 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.26 -0.9 . . . . 0.0 109.501 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.23 166.65 14.81 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.48 ' HB2' ' HZ2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -88.07 154.87 20.13 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.275 -1.132 . . . . 0.0 109.539 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.494 ' HE2' HD11 ' A' ' 22' ' ' LEU . 5.1 t80 -160.01 108.14 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.254 -0.904 . . . . 0.0 109.403 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.418 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 31.0 ttp85 -107.76 78.84 1.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.377 -0.827 . . . . 0.0 109.379 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.498 ' O ' HD12 ' A' ' 22' ' ' LEU . 85.9 m-70 -154.9 164.89 38.21 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.362 -0.836 . . . . 0.0 109.984 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 21' ' ' HIS . 0.6 OUTLIER 71.05 -40.94 0.49 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.77 -0.581 . . . . 0.0 110.443 179.504 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.5 p30 -109.55 7.63 24.75 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.053 -1.03 . . . . 0.0 109.543 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 55.21 21.14 3.81 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.276 -0.89 . . . . 0.0 109.127 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -143.39 151.26 40.2 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.347 -0.846 . . . . 0.0 109.26 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.674 ' OE2' HG23 ' A' ' 8' ' ' VAL . 12.5 mt-10 -78.2 141.32 38.72 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.276 -0.89 . . . . 0.0 109.716 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -139.05 162.81 34.02 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.371 -0.831 . . . . 0.0 109.208 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.6 m -109.72 95.42 5.59 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.136 -0.978 . . . . 0.0 109.64 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 8.6 tttt -87.15 168.81 12.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.464 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.3 m -90.14 166.46 13.38 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.857 -1.152 . . . . 0.0 109.22 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 15' ' ' ASN . 12.5 mt -74.98 -164.87 0.33 Allowed 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.151 -0.968 . . . . 0.0 110.169 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.18 153.64 42.33 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.262 -0.898 . . . . 0.0 109.728 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 56.95 18.65 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.298 -0.876 . . . . 0.0 109.348 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.42 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 18.9 m-85 -125.93 120.06 29.4 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.316 -0.865 . . . . 0.0 109.245 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.459 ' H ' ' HG2' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -104.06 -178.9 3.79 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.179 -0.951 . . . . 0.0 108.997 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -112.49 126.27 55.14 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.369 -0.832 . . . . 0.0 109.287 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.22 130.91 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.191 -0.943 . . . . 0.0 109.501 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.18 -101.84 0.6 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.77 4.16 3.03 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.213 -1.169 . . . . 0.0 109.411 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -135.82 147.57 48.34 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.236 -0.915 . . . . 0.0 109.171 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 77.6 m -79.12 143.1 35.82 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.137 -0.977 . . . . 0.0 109.368 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.457 HG22 ' HG3' ' A' ' 35' ' ' LYS . 3.2 m -121.32 -179.32 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 O-C-N 121.207 -0.933 . . . . 0.0 109.596 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.14 138.44 40.73 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.538 -0.726 . . . . 0.0 109.39 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -130.39 67.07 79.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 O-C-N 121.269 -0.894 . . . . 0.0 109.67 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -35.88 -32.04 0.09 OUTLIER 'Trans proline' 0 N--CA 1.483 0.866 1 C-N-CA 125.848 4.366 . . . . 0.0 110.359 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.97 95.85 49.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 O-C-N 121.279 -0.888 . . . . 0.0 109.474 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -84.19 179.02 4.84 Favored 'Trans proline' 0 N--CA 1.481 0.765 0 C-N-CA 124.938 3.759 . . . . 0.0 110.261 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.843 HG21 ' CG ' ' A' ' 51' ' ' GLU . 15.4 t -149.49 -160.73 1.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.272 -0.892 . . . . 0.0 109.815 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 m -141.57 -38.79 0.39 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.431 -0.793 . . . . 0.0 108.92 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -69.12 3.83 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.545 -0.722 . . . . 0.0 109.647 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.843 ' CG ' HG21 ' A' ' 48' ' ' THR . 71.0 mm-40 -108.19 59.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.203 -0.935 . . . . 0.0 108.913 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 40.02 73.89 0.11 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.009 0.433 . . . . 0.0 111.014 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 17.9 t-20 58.95 82.51 0.14 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.454 -0.779 . . . . 0.0 109.394 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.7 -37.55 76.69 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 107.651 -2.18 . . . . 0.0 107.651 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.62 ' O ' HG22 ' A' ' 90' ' ' ILE . . . -157.18 -4.38 0.08 OUTLIER Glycine 0 CA--C 1.522 0.51 0 N-CA-C 107.284 -2.326 . . . . 0.0 107.284 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASP . 60.7 m -111.83 124.73 52.97 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.656 -0.908 . . . . 0.0 109.171 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 19.1 t0 -32.7 135.65 0.09 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.497 0.665 . . . . 0.0 111.516 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.12 -23.72 8.74 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.55 -0.719 . . . . 0.0 109.338 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -97.98 -15.64 20.01 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.397 -0.814 . . . . 0.0 109.302 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -85.34 162.33 19.12 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.169 -0.957 . . . . 0.0 109.684 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -83.38 164.53 19.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.372 -0.83 . . . . 0.0 109.122 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.5 t -135.83 133.26 37.63 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.224 -0.922 . . . . 0.0 109.694 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -122.49 138.7 54.47 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.249 -0.907 . . . . 0.0 109.276 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.58 19.33 2.53 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.418 -0.801 . . . . 0.0 109.623 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -53.27 137.26 35.18 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.457 -0.777 . . . . 0.0 109.701 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.54 163.78 0.85 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.265 -0.897 . . . . 0.0 109.531 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.45 -6.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.326 -0.858 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -136.82 -99.99 0.55 Allowed Glycine 0 CA--C 1.529 0.937 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 p -170.14 -89.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.248 -1.148 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -87.49 36.2 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.248 -0.908 . . . . 0.0 109.435 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.14 97.86 0.15 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.41 149.47 40.45 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.171 -1.193 . . . . 0.0 109.506 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.13 130.27 55.68 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.302 -0.874 . . . . 0.0 109.461 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.7 mm -111.63 111.18 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 121.3 -0.875 . . . . 0.0 109.384 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.27 137.91 48.41 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.196 -0.94 . . . . 0.0 109.374 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.0 m -104.45 155.86 18.44 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.217 -0.927 . . . . 0.0 109.414 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -156.69 101.15 1.97 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.288 -0.882 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.3 m -60.24 97.19 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.185 -0.947 . . . . 0.0 108.758 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 79' ' ' THR . 12.8 t -73.54 46.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.264 -0.897 . . . . 0.0 110.049 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -138.76 167.79 18.13 Favored Pre-proline 0 C--N 1.329 -0.321 0 O-C-N 121.102 -0.999 . . . . 0.0 109.446 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 16.5 Cg_endo -89.29 -45.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.571 1 C-N-CA 125.344 4.029 . . . . 0.0 110.037 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.436 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . 50.5 m-20 -82.82 25.71 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.379 -0.825 . . . . 0.0 109.147 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.45 113.07 25.22 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.521 -0.737 . . . . 0.0 109.356 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.451 ' H ' ' H ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -120.93 77.19 30.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 O-C-N 121.2 -0.937 . . . . 0.0 109.572 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -32.58 110.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.482 0.822 1 C-N-CA 125.824 4.349 . . . . 0.0 110.878 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.404 HD21 ' CE1' ' A' ' 5' ' ' HIS . 31.0 mt -71.6 -33.12 68.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -117.26 -106.27 0.39 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.94 17.56 20.38 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.802 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.04 1.77 22.26 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 119.679 -1.248 . . . . 0.0 110.398 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.854 HD12 ' CE2' ' A' ' 91' ' ' PHE . 3.0 pt -68.51 -26.24 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 120.894 -1.357 . . . . 0.0 109.253 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.854 ' CE2' HD12 ' A' ' 90' ' ' ILE . 29.4 m-85 -140.4 96.26 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.245 -0.909 . . . . 0.0 109.751 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.69 133.68 47.32 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.206 -0.934 . . . . 0.0 108.906 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.451 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -53.88 171.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.349 -0.844 . . . . 0.0 109.511 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.91 174.58 14.92 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.299 -0.876 . . . . 0.0 109.488 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.78 -70.1 0.54 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.244 -0.91 . . . . 0.0 109.466 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 56.6 t30 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.497 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.51 ' O ' HG22 ' A' ' 2' ' ' ILE . 30.3 mm 55.59 31.09 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 O-C-N 121.349 -0.844 . . . . 0.0 109.435 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.49 3.66 54.85 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.293 -0.879 . . . . 0.0 109.372 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -117.81 129.33 55.61 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.22 -0.925 . . . . 0.0 109.437 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 56.84 46.6 19.5 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.161 -0.962 . . . . 0.0 109.405 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -28.56 46.13 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.48 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.98 107.01 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.21 -0.931 . . . . 0.0 109.343 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 m -66.25 -174.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.26 -0.9 . . . . 0.0 109.653 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 68.42 1.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.31 -0.869 . . . . 0.0 109.308 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -159.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.255 -0.903 . . . . 0.0 109.671 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -101.13 152.49 20.57 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.365 -0.835 . . . . 0.0 109.367 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 12.3 t -165.0 139.0 4.01 Favored Pre-proline 0 CA--C 1.538 0.506 0 O-C-N 121.296 -0.877 . . . . 0.0 108.955 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 24.2 Cg_endo -87.77 -177.92 2.12 Favored 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 124.552 3.502 . . . . 0.0 110.655 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -73.4 176.17 6.28 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.386 -0.821 . . . . 0.0 109.253 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.884 ' HA ' HD12 ' A' ' 31' ' ' LEU . 3.8 m120 57.13 21.15 6.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.137 -0.977 . . . . 0.0 108.713 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.78 140.57 18.13 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.314 -0.866 . . . . 0.0 109.626 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.06 -129.43 5.08 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.528 ' HA ' ' H ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -167.81 144.55 4.19 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 120.945 -1.327 . . . . 0.0 110.011 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CG ' ' N ' ' A' ' 20' ' ' ARG . 42.3 t80 -156.82 -177.75 6.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -129.99 102.94 6.49 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.189 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.578 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -49.34 162.64 0.13 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.478 0.656 . . . . 0.0 109.519 -178.132 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.038 HD21 ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -62.44 -8.08 5.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.701 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -81.07 9.68 6.32 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 74.73 30.74 0.98 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER 175.09 128.72 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.946 -1.096 . . . . 0.0 110.488 179.353 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.578 ' CB ' ' H ' ' A' ' 21' ' ' HIS . 1.9 tp10 -139.78 -36.42 0.51 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.034 -1.041 . . . . 0.0 108.833 178.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 71.58 -167.61 0.14 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.965 0.888 . . . . 0.0 110.803 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -52.43 107.88 0.25 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.571 0.7 . . . . 0.0 109.756 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.528 ' H ' ' HA ' ' A' ' 18' ' ' CYS . 1.7 tmtt? -97.29 -179.38 4.48 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.451 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 46.0 m -92.05 172.66 8.29 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.037 -1.039 . . . . 0.0 109.449 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 15' ' ' ASN . 12.7 mt -91.01 -167.82 1.91 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.291 -0.881 . . . . 0.0 109.675 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.452 ' HG ' HG23 ' A' ' 90' ' ' ILE . 1.1 mt -69.03 148.6 49.85 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.282 -0.886 . . . . 0.0 109.265 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 58.82 16.14 4.3 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.224 -0.922 . . . . 0.0 109.557 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.447 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 14.4 m-85 -124.21 114.07 19.14 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.275 -0.891 . . . . 0.0 109.527 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HG3' HG23 ' A' ' 42' ' ' VAL . 3.4 ptmt -98.16 -170.95 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.288 -0.883 . . . . 0.0 109.151 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.76 155.45 19.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.566 -0.709 . . . . 0.0 109.498 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.486 ' OE1' HG11 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -166.2 71.74 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.273 -0.892 . . . . 0.0 109.42 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.77 -104.4 2.91 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -125.43 5.03 7.65 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.321 -1.105 . . . . 0.0 109.417 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.24 135.96 37.68 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.254 -0.904 . . . . 0.0 109.325 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.8 m -73.47 141.42 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.145 -0.972 . . . . 0.0 109.435 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.507 HG23 ' HG3' ' A' ' 35' ' ' LYS . 32.0 m -113.07 178.17 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 O-C-N 121.226 -0.921 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.33 124.72 27.96 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.152 -0.967 . . . . 0.0 109.45 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.416 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.9 t-20 -84.93 114.15 54.06 Favored Pre-proline 0 CA--C 1.536 0.406 0 O-C-N 121.289 -0.882 . . . . 0.0 109.396 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 12.7 Cg_endo -89.45 -15.61 2.27 Favored 'Trans proline' 0 N--CA 1.478 0.585 0 C-N-CA 124.83 3.687 . . . . 0.0 110.236 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -144.02 76.38 15.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 121.226 -0.921 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -90.96 131.93 1.53 Allowed 'Trans proline' 0 N--CA 1.477 0.505 1 C-N-CA 125.628 4.219 . . . . 0.0 110.359 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 49' ' ' CYS . 9.8 t -130.51 -129.5 0.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.19 -0.943 . . . . 0.0 109.738 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.617 ' N ' HG23 ' A' ' 48' ' ' THR . 3.9 m -140.59 -36.71 0.47 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -70.15 1.49 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.594 ' HG3' HG22 ' A' ' 48' ' ' THR . 28.6 mm-40 -97.37 52.6 1.12 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 41.71 71.58 0.2 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.265 0.555 . . . . 0.0 109.637 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.516 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.1 OUTLIER 65.5 92.46 0.07 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 122.867 1.318 . . . . 0.0 108.411 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.93 36.47 3.95 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 107.776 -2.13 . . . . 0.0 107.776 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.94 -12.47 6.49 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 107.964 -2.054 . . . . 0.0 107.964 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.516 ' C ' HD22 ' A' ' 53' ' ' ASN . 76.0 m -111.62 132.72 54.37 Favored 'General case' 0 N--CA 1.462 0.164 0 O-C-N 121.411 -1.052 . . . . 0.0 108.629 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 92' ' ' CYS . 25.1 t0 -46.27 142.48 2.89 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.36 0.6 . . . . 0.0 110.349 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.038 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -51.86 -29.84 21.32 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.716 -0.615 . . . . 0.0 109.756 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -96.77 -7.12 34.57 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.2 -0.937 . . . . 0.0 109.527 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . . . -91.94 157.34 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.14 -0.975 . . . . 0.0 109.717 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -78.0 161.5 27.44 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.299 -0.875 . . . . 0.0 108.886 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.0 t -135.4 144.87 46.8 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.117 -0.989 . . . . 0.0 109.808 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.49 143.53 30.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.298 -0.876 . . . . 0.0 109.157 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.35 15.34 4.55 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.292 -0.88 . . . . 0.0 109.338 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 69.2 mt-10 -53.71 171.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.402 -0.811 . . . . 0.0 109.664 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -54.55 131.1 42.18 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.291 -0.88 . . . . 0.0 109.535 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -149.87 -4.43 0.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.25 -0.906 . . . . 0.0 109.381 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 157.06 8.22 0.06 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.7 m -162.28 -144.28 0.09 Allowed 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.182 -1.187 . . . . 0.0 109.444 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -143.21 65.52 1.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.292 -0.88 . . . . 0.0 109.44 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 128.24 -57.19 0.72 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -176.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.268 -1.137 . . . . 0.0 109.616 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? 65.62 123.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 74' ' ' ILE . 16.8 mm -137.28 109.18 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 121.03 -1.044 . . . . 0.0 109.809 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.58 159.48 20.64 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.203 -0.936 . . . . 0.0 108.724 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.8 m -136.49 139.13 42.08 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.064 -1.023 . . . . 0.0 109.44 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.75 88.77 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.315 -0.865 . . . . 0.0 109.234 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.6 m -72.74 94.82 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.228 -0.92 . . . . 0.0 109.67 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 79' ' ' THR . 7.7 t -111.97 35.17 3.83 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.334 -0.854 . . . . 0.0 108.986 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' HG3' ' CD ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -103.94 144.62 29.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 O-C-N 121.407 -0.808 . . . . 0.0 109.35 -179.796 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.402 ' CD ' ' HG3' ' A' ' 80' ' ' LYS . 5.5 Cg_exo -46.32 131.27 14.8 Favored 'Trans proline' 0 N--CA 1.475 0.39 0 C-N-CA 123.687 2.925 . . . . 0.0 108.654 178.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.74 -17.8 0.33 Allowed 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.555 -0.716 . . . . 0.0 111.02 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.6 p -58.68 106.22 0.38 Allowed 'General case' 0 CA--C 1.532 0.272 0 O-C-N 120.395 -1.441 . . . . 0.0 109.112 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -129.03 92.02 40.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 O-C-N 121.18 -0.95 . . . . 0.0 109.247 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -32.73 111.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.482 0.832 1 C-N-CA 125.547 4.165 . . . . 0.0 111.487 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 86' ' ' LEU . 68.0 mt -80.49 -37.74 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 178.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.851 ' CE2' HD21 ' A' ' 31' ' ' LEU . 6.6 m-85 -106.18 -105.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.02 22.86 9.47 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.772 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.4 -19.4 7.16 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 119.58 -1.295 . . . . 0.0 110.53 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.765 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.7 pt -63.45 -28.76 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 120.997 -1.296 . . . . 0.0 109.788 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.765 ' CE2' HD12 ' A' ' 90' ' ' ILE . 9.2 m-85 -132.69 105.61 7.28 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.031 -1.043 . . . . 0.0 109.592 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.425 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 64.3 m -125.65 89.6 3.06 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.207 -0.933 . . . . 0.0 109.392 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.2 m -154.59 -49.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.252 -0.905 . . . . 0.0 109.366 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.8 t -99.68 152.39 20.13 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.254 -0.904 . . . . 0.0 109.326 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.88 -167.65 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.219 -0.926 . . . . 0.0 109.548 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.438 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.8 mm -100.45 131.6 47.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 O-C-N 121.281 -0.887 . . . . 0.0 109.424 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -78.61 -110.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.342 -0.849 . . . . 0.0 109.509 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.412 ' C ' ' H ' ' A' ' 6' ' ' GLN . 2.0 tp60 -102.72 -168.12 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.229 -0.919 . . . . 0.0 109.504 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER 69.98 -9.64 0.7 Allowed 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.456 -0.778 . . . . 0.0 110.022 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 4' ' ' GLN . 41.5 tt0 -62.2 104.18 0.46 Allowed 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.939 -1.101 . . . . 0.0 109.367 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.492 ' C ' HG12 ' A' ' 8' ' ' VAL . 57.8 m -89.39 -107.58 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.352 -0.843 . . . . 0.0 109.389 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.492 HG12 ' C ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER 178.83 -45.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 O-C-N 121.248 -0.907 . . . . 0.0 109.447 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.27 58.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.281 -0.887 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' NZ ' ' CG ' ' A' ' 26' ' ' GLU . 17.0 mtpp -101.63 129.69 47.8 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.262 -0.899 . . . . 0.0 109.549 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.51 64.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.347 -0.846 . . . . 0.0 109.162 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 m -61.41 173.35 0.78 Allowed Pre-proline 0 C--N 1.33 -0.26 0 O-C-N 121.161 -0.962 . . . . 0.0 108.91 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -86.92 162.98 8.94 Favored 'Trans proline' 0 N--CA 1.478 0.597 1 C-N-CA 125.337 4.025 . . . . 0.0 110.324 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.1 172.25 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.288 -0.883 . . . . 0.0 109.443 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.662 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.9 OUTLIER 56.3 22.57 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.245 -0.91 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -162.4 128.23 3.45 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.259 -0.9 . . . . 0.0 109.772 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.18 -161.27 20.65 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.98 148.44 43.54 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.087 -1.243 . . . . 0.0 109.737 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.493 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 32.8 t80 -154.87 139.34 16.83 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.281 -0.887 . . . . 0.0 109.462 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -90.8 118.8 30.5 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.298 -0.876 . . . . 0.0 109.303 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 21' ' ' HIS . 20.4 m170 -54.28 145.46 17.67 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.28 -0.887 . . . . 0.0 109.497 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 22' ' ' LEU . 7.2 mp -67.15 -0.86 3.67 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.36 -0.837 . . . . 0.0 109.62 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -105.57 40.94 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.208 -0.933 . . . . 0.0 109.461 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 63.02 2.76 1.09 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.478 -0.764 . . . . 0.0 110.238 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -94.31 177.57 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 120.923 -1.11 . . . . 0.0 108.963 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' CG ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -163.12 150.4 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.23 -0.919 . . . . 0.0 109.375 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -173.95 -178.76 1.58 Allowed 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.246 -0.909 . . . . 0.0 109.636 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.3 m -96.38 127.55 42.48 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.327 -0.858 . . . . 0.0 109.778 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -113.73 156.57 23.56 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 1.1 m -77.32 160.36 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.825 -1.172 . . . . 0.0 109.609 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 15' ' ' ASN . 76.0 mt -77.73 -165.37 0.62 Allowed 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.291 -0.88 . . . . 0.0 109.714 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' CD1' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -70.48 158.37 36.18 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.392 -0.817 . . . . 0.0 109.392 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 m120 59.49 15.99 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.285 -0.884 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 17.4 m-85 -132.1 120.55 22.48 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.355 -0.841 . . . . 0.0 109.412 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 -172.81 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.187 -0.945 . . . . 0.0 109.45 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -106.69 156.87 18.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.648 -0.658 . . . . 0.0 109.35 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.05 100.09 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.205 -0.935 . . . . 0.0 109.564 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.77 -89.04 1.34 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.57 -3.85 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.239 -1.154 . . . . 0.0 109.488 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.86 147.94 50.02 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.22 -0.925 . . . . 0.0 109.243 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.1 m -81.18 142.51 33.14 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.138 -0.976 . . . . 0.0 109.316 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.9 m -117.17 179.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 O-C-N 121.245 -0.91 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.98 139.71 34.4 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.374 -0.829 . . . . 0.0 109.436 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 4.0 t-20 -116.42 128.46 25.98 Favored Pre-proline 0 CA--C 1.537 0.455 0 O-C-N 121.2 -0.938 . . . . 0.0 109.581 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 19.3 Cg_endo -91.65 -16.24 1.27 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 124.856 3.704 . . . . 0.0 109.983 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.53 89.44 6.82 Favored Pre-proline 0 CA--C 1.532 0.278 0 O-C-N 121.382 -0.824 . . . . 0.0 109.194 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -88.31 137.36 3.64 Favored 'Trans proline' 0 N--CA 1.48 0.685 0 C-N-CA 125.28 3.987 . . . . 0.0 110.598 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.581 HG23 ' HG2' ' A' ' 51' ' ' GLU . 10.1 t -124.81 -168.56 1.84 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.277 -0.89 . . . . 0.0 109.272 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.95 -27.55 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.221 -0.925 . . . . 0.0 109.003 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.64 -1.8 5.78 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.24 -0.913 . . . . 0.0 108.685 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.581 ' HG2' HG23 ' A' ' 48' ' ' THR . 7.4 pt-20 -94.13 50.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.82 70.87 0.24 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.169 0.509 . . . . 0.0 110.654 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 11.0 t-20 59.64 78.64 0.26 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.794 0.807 . . . . 0.0 109.191 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.37 -49.38 61.34 Favored Glycine 0 CA--C 1.519 0.326 0 N-CA-C 107.832 -2.107 . . . . 0.0 107.832 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.508 ' HA2' HG22 ' A' ' 90' ' ' ILE . . . -144.89 0.47 1.0 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 107.583 -2.207 . . . . 0.0 107.583 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASP . 58.3 m -111.31 114.49 27.71 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.601 -0.941 . . . . 0.0 109.107 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.44 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 5.9 t0 -30.15 138.48 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.308 0.575 . . . . 0.0 111.691 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.19 -33.22 57.63 Favored 'General case' 0 C--N 1.333 -0.152 0 O-C-N 121.439 -0.788 . . . . 0.0 109.181 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.3 -10.79 48.35 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.316 -0.865 . . . . 0.0 108.974 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.85 163.78 16.24 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.334 -0.854 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 144.36 26.36 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.366 -0.834 . . . . 0.0 109.21 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.6 t -115.14 142.03 47.21 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.158 -0.964 . . . . 0.0 109.45 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.73 141.51 47.56 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.211 -0.931 . . . . 0.0 109.504 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.86 7.6 4.06 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.292 -0.88 . . . . 0.0 109.47 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -54.13 165.2 0.53 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.277 -0.889 . . . . 0.0 109.579 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -55.21 141.57 34.7 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.337 -0.852 . . . . 0.0 109.43 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.1 m -160.21 -132.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.248 -0.907 . . . . 0.0 109.371 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.94 -106.78 2.72 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.28 179.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.249 -1.147 . . . . 0.0 109.432 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -104.73 -43.72 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.239 -0.913 . . . . 0.0 109.422 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -119.68 -115.93 2.56 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -58.37 137.27 57.35 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.349 -1.089 . . . . 0.0 109.362 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -97.44 106.25 18.53 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.284 -0.885 . . . . 0.0 109.444 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.01 129.43 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.262 -0.899 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.3 151.71 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.222 -0.924 . . . . 0.0 109.406 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.77 142.05 51.46 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.285 -0.884 . . . . 0.0 109.609 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -140.68 106.56 5.16 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.35 -0.844 . . . . 0.0 109.19 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.5 m -71.55 145.25 49.21 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.348 -0.845 . . . . 0.0 109.617 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -120.69 31.58 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.326 -0.859 . . . . 0.0 109.304 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -105.02 169.53 7.01 Favored Pre-proline 0 C--N 1.33 -0.281 0 O-C-N 121.339 -0.851 . . . . 0.0 109.375 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -90.56 135.94 2.16 Favored 'Trans proline' 0 N--CA 1.477 0.554 1 C-N-CA 125.417 4.078 . . . . 0.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.17 6.34 3.5 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.244 -0.91 . . . . 0.0 109.552 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.43 127.92 47.87 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.278 -0.889 . . . . 0.0 109.473 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.502 ' H ' ' N ' ' A' ' 93' ' ' SER . 33.2 m-85 -144.59 139.51 15.58 Favored Pre-proline 0 CA--C 1.533 0.308 0 O-C-N 121.298 -0.876 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -35.28 138.55 0.13 Allowed 'Trans proline' 0 N--CA 1.483 0.871 1 C-N-CA 125.516 4.144 . . . . 0.0 110.603 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.682 HD12 ' HB2' ' A' ' 91' ' ' PHE . 66.0 mt -103.44 -58.87 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.218 -0.926 . . . . 0.0 109.545 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.567 ' CD2' HD11 ' A' ' 90' ' ' ILE . 87.3 m-85 -97.79 -13.63 21.24 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.172 -0.955 . . . . 0.0 109.533 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.6 -45.74 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.458 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . -179.87 -0.42 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.582 HD12 ' CE2' ' A' ' 91' ' ' PHE . 13.9 pt -68.55 -36.48 74.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 121.273 -1.134 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.682 ' HB2' HD12 ' A' ' 86' ' ' LEU . 11.1 m-85 -131.0 143.7 50.92 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.281 -0.887 . . . . 0.0 109.315 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.75 119.04 34.22 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.502 ' N ' ' H ' ' A' ' 84' ' ' TYR . 7.2 t -174.07 -121.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.228 -0.92 . . . . 0.0 109.44 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 m -156.32 144.97 20.1 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.237 -0.915 . . . . 0.0 109.488 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.6 t -126.41 -80.79 0.61 Allowed 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.282 -0.886 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.4 179.942 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 33.4 m120 . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 mm -105.48 27.1 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 O-C-N 121.282 -0.887 . . . . 0.0 109.385 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -135.7 67.13 1.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.357 -0.84 . . . . 0.0 109.394 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -148.09 -41.6 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.308 -0.87 . . . . 0.0 109.358 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.994 ' CE1' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -89.03 8.94 27.16 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.222 -0.924 . . . . 0.0 109.399 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -96.98 31.6 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.237 -0.915 . . . . 0.0 109.433 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p 35.1 -151.52 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.187 0.517 . . . . 0.0 111.378 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 t -139.76 -93.82 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 O-C-N 121.096 -1.002 . . . . 0.0 109.513 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -114.23 74.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.144 -0.972 . . . . 0.0 109.338 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HZ3' ' HB2' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -91.59 162.75 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.293 -0.88 . . . . 0.0 109.676 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.19 9.02 37.81 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.343 -0.848 . . . . 0.0 109.283 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 10.5 t -54.51 139.91 57.85 Favored Pre-proline 0 CA--C 1.538 0.485 0 O-C-N 121.322 -0.861 . . . . 0.0 109.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 29.4 Cg_endo -90.19 177.65 2.37 Favored 'Trans proline' 0 N--CA 1.48 0.717 0 C-N-CA 124.67 3.58 . . . . 0.0 110.881 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -62.98 175.97 0.78 Allowed 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.372 -0.83 . . . . 0.0 109.178 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.673 ' HA ' HD12 ' A' ' 31' ' ' LEU . 6.2 m-20 55.31 22.08 4.58 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 121.243 -0.911 . . . . 0.0 108.828 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.3 t -158.55 123.92 4.37 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.46 -0.775 . . . . 0.0 109.14 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.74 167.09 17.13 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -97.56 163.23 12.93 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.116 -1.226 . . . . 0.0 109.712 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -152.69 100.87 2.58 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.278 -0.889 . . . . 0.0 109.535 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 4.0 ttt180 -99.25 79.0 2.27 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.183 -0.948 . . . . 0.0 109.129 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.455 ' O ' HD12 ' A' ' 22' ' ' LEU . 91.7 m-70 -154.36 139.39 17.35 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.255 -0.903 . . . . 0.0 110.099 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 21' ' ' HIS . 0.7 OUTLIER 67.58 0.74 2.31 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.648 -0.658 . . . . 0.0 110.156 179.116 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -129.64 -3.31 4.77 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.04 -1.037 . . . . 0.0 109.343 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 54.51 22.74 4.08 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.353 -0.842 . . . . 0.0 108.849 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.07 154.09 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.564 -0.71 . . . . 0.0 109.099 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.21 122.4 28.35 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.245 -0.909 . . . . 0.0 110.034 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.53 166.72 10.21 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HB2' ' HZ3' ' A' ' 10' ' ' LYS . 4.2 t -123.12 97.61 5.5 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.086 -1.009 . . . . 0.0 109.45 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -104.79 141.85 35.76 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.385 -0.822 . . . . 0.0 109.059 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 2.8 m -63.5 154.88 31.02 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.146 -0.972 . . . . 0.0 109.818 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 15' ' ' ASN . 49.9 mt -69.51 -167.45 0.13 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.3 -0.875 . . . . 0.0 109.546 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' HG ' HG21 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -73.61 157.14 37.2 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 121.271 -0.893 . . . . 0.0 109.388 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 60.1 14.32 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.291 -0.88 . . . . 0.0 109.358 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 12.5 m-85 -126.17 116.38 21.24 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.375 -0.828 . . . . 0.0 109.213 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -101.02 -179.35 4.02 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.168 -0.958 . . . . 0.0 109.397 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -104.05 142.3 34.7 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.385 -0.822 . . . . 0.0 109.46 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -157.83 87.19 0.93 Allowed 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.25 -0.906 . . . . 0.0 109.525 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.63 -105.96 3.36 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.45 5.04 5.66 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.177 -1.19 . . . . 0.0 109.426 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -138.89 130.44 27.35 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.235 -0.916 . . . . 0.0 109.217 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.1 m -71.09 136.27 48.15 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.301 -0.875 . . . . 0.0 109.587 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.463 HG22 ' HG3' ' A' ' 35' ' ' LYS . 3.0 m -108.33 -179.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 O-C-N 121.253 -0.905 . . . . 0.0 109.858 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.95 127.27 32.39 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.549 -0.72 . . . . 0.0 109.33 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.452 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 65.6 t30 -110.88 123.63 34.96 Favored Pre-proline 0 CA--C 1.535 0.401 0 O-C-N 121.274 -0.891 . . . . 0.0 109.372 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.6 Cg_endo -90.75 -15.6 1.69 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 124.735 3.623 . . . . 0.0 110.303 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -132.97 85.14 46.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.278 -0.889 . . . . 0.0 109.723 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -91.44 167.02 3.46 Favored 'Trans proline' 0 N--CA 1.476 0.486 1 C-N-CA 125.624 4.216 . . . . 0.0 109.904 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.85 HG23 ' HG2' ' A' ' 51' ' ' GLU . 5.5 t -152.7 179.5 8.57 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.117 -0.99 . . . . 0.0 109.883 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 m -111.5 -29.51 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -57.95 -17.99 20.54 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.402 -0.811 . . . . 0.0 108.826 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.85 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.5 pt-20 -74.0 66.63 1.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 4.1 p-10 42.13 53.01 4.41 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.074 0.464 . . . . 0.0 111.301 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.53 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.3 OUTLIER 62.61 65.84 0.81 Allowed 'General case' 0 N--CA 1.462 0.169 0 O-C-N 120.923 -1.11 . . . . 0.0 108.874 179.176 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.38 -51.11 5.08 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.79 -19.76 78.67 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.53 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.65 154.76 24.44 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.0 -1.294 . . . . 0.0 110.417 -179.718 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.29 -94.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.373 -0.83 . . . . 0.0 109.823 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -154.15 -15.35 0.13 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.334 -0.854 . . . . 0.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.74 -17.6 6.82 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.292 -0.88 . . . . 0.0 109.484 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.99 178.78 2.55 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.272 -0.892 . . . . 0.0 109.427 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.67 124.62 49.19 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.273 -0.892 . . . . 0.0 109.592 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.92 157.91 15.89 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.423 -0.798 . . . . 0.0 109.389 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.55 151.63 24.53 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.11 -0.994 . . . . 0.0 109.554 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -144.95 -4.36 0.74 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.169 -0.957 . . . . 0.0 109.559 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -76.66 137.96 39.75 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.239 -0.913 . . . . 0.0 109.508 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t0 63.0 153.94 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.422 -0.799 . . . . 0.0 109.802 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.44 -83.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.217 -0.927 . . . . 0.0 109.429 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.9 -135.62 1.85 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.91 160.33 43.37 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.198 -1.177 . . . . 0.0 109.405 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 m120 63.61 68.3 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.167 -0.958 . . . . 0.0 109.367 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.61 116.33 3.42 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.516 ' H ' ' CD ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -57.75 176.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.275 -1.133 . . . . 0.0 109.426 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -153.34 163.69 39.47 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.238 -0.914 . . . . 0.0 109.377 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mm -130.33 154.02 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 121.289 -0.882 . . . . 0.0 109.481 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.54 151.63 51.86 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.255 -0.903 . . . . 0.0 109.512 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.1 m -154.21 145.83 23.25 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.239 -0.913 . . . . 0.0 109.22 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -151.11 118.75 6.1 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.232 -0.917 . . . . 0.0 109.75 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 91.62 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -81.84 -10.89 59.19 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.319 -0.863 . . . . 0.0 110.077 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 174.31 0.21 Allowed Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.206 -0.934 . . . . 0.0 109.446 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -88.83 -52.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.478 0.569 1 C-N-CA 125.453 4.102 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -79.68 14.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.355 -0.841 . . . . 0.0 108.97 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 p -79.82 126.73 31.36 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.502 -0.749 . . . . 0.0 109.453 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -142.42 75.1 19.67 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.348 -0.845 . . . . 0.0 109.332 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -30.6 144.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.484 0.94 1 C-N-CA 126.14 4.56 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.994 HD21 ' CE1' ' A' ' 5' ' ' HIS . 53.6 mt -114.84 -53.87 2.61 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.252 -0.905 . . . . 0.0 109.71 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.402 ' O ' ' CB ' ' A' ' 88' ' ' ASP . 59.5 m-85 -102.78 -11.7 18.14 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.223 -0.923 . . . . 0.0 109.579 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER 166.0 -39.64 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.418 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . 164.07 11.11 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.677 HD12 ' CE2' ' A' ' 91' ' ' PHE . 3.2 pt -88.72 5.02 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 O-C-N 121.201 -1.176 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.677 ' CE2' HD12 ' A' ' 90' ' ' ILE . 75.8 m-85 -151.87 49.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.312 -0.868 . . . . 0.0 109.522 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.4 121.8 25.61 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.144 -0.973 . . . . 0.0 109.471 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.89 158.17 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.207 -0.933 . . . . 0.0 109.56 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.3 -160.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.315 -0.866 . . . . 0.0 109.225 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.7 t -162.44 -0.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.221 -0.924 . . . . 0.0 109.349 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.375 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 49.9 t30 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.539 ' H ' HD13 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -92.5 139.32 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.243 -0.911 . . . . 0.0 109.468 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 t -76.64 138.36 40.02 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.268 -0.895 . . . . 0.0 109.424 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -143.7 -26.09 0.56 Allowed 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.318 -0.864 . . . . 0.0 109.307 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -71.75 -7.18 46.54 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.298 -0.876 . . . . 0.0 109.634 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 58.79 -94.24 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.311 -0.868 . . . . 0.0 109.463 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 62.37 113.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 109.819 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.826 HG22 ' H ' ' A' ' 9' ' ' LYS . 2.5 p -160.47 -172.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 O-C-N 121.071 -1.018 . . . . 0.0 109.427 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.826 ' H ' HG22 ' A' ' 8' ' ' VAL . 10.3 tttm 56.94 20.8 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.253 -0.904 . . . . 0.0 109.423 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HZ2' ' HB3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -165.07 169.24 16.49 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.312 -0.868 . . . . 0.0 109.425 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -127.23 -179.58 4.95 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.271 -0.893 . . . . 0.0 109.578 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 49.4 t -151.88 138.04 11.56 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 7.4 Cg_endo -77.4 -173.92 1.99 Allowed 'Trans proline' 0 N--CA 1.485 0.988 0 C-N-CA 124.098 3.199 . . . . 0.0 110.789 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -77.76 173.28 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.707 ' HA ' HD12 ' A' ' 31' ' ' LEU . 56.3 m-20 55.35 24.7 6.81 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 121.163 -0.961 . . . . 0.0 108.549 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.6 p -160.32 133.43 6.68 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.585 -0.697 . . . . 0.0 109.202 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.27 167.53 12.71 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.53 162.87 17.82 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.099 -1.236 . . . . 0.0 109.862 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -169.42 119.8 0.68 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.37 -0.831 . . . . 0.0 109.219 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttt-85 -74.25 120.86 20.4 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.235 -0.916 . . . . 0.0 109.159 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -54.64 142.11 29.42 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.211 -0.931 . . . . 0.0 109.361 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.662 ' H ' HD12 ' A' ' 22' ' ' LEU . 6.3 mp -66.9 -1.79 4.43 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.353 -0.842 . . . . 0.0 109.489 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.36 30.72 4.75 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.277 -0.889 . . . . 0.0 109.348 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.48 -12.06 0.86 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.193 0.52 . . . . 0.0 109.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -75.93 174.57 9.78 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.054 -1.029 . . . . 0.0 109.477 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HB3' ' HZ2' ' A' ' 10' ' ' LYS . 28.6 mt-10 -140.1 132.58 28.58 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.227 -0.921 . . . . 0.0 109.53 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -159.85 162.67 34.72 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.269 -0.895 . . . . 0.0 109.401 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.43 126.42 55.32 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.255 -0.903 . . . . 0.0 109.004 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -99.44 174.65 6.17 Favored 'General case' 0 C--O 1.225 -0.199 0 O-C-N 121.321 -0.862 . . . . 0.0 109.238 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.82 170.0 17.27 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.046 -1.034 . . . . 0.0 110.241 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.876 HD21 ' CE2' ' A' ' 87' ' ' PHE . 9.1 mt -76.72 -166.28 0.65 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.296 -0.878 . . . . 0.0 109.749 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.18 159.35 31.7 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.326 -0.859 . . . . 0.0 109.738 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 m120 56.99 16.17 2.7 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.496 -0.753 . . . . 0.0 109.92 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -117.33 179.98 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.226 -0.922 . . . . 0.0 109.039 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' HG3' HG23 ' A' ' 42' ' ' VAL . 8.0 ptmt -157.73 -174.76 5.01 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.337 -0.852 . . . . 0.0 108.96 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -117.95 135.02 54.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.481 -0.762 . . . . 0.0 109.517 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -144.35 71.94 1.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.376 -0.827 . . . . 0.0 109.378 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.52 -103.79 2.5 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -124.67 1.11 8.19 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.259 -1.142 . . . . 0.0 109.412 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -133.15 135.63 45.27 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.202 -0.936 . . . . 0.0 109.224 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.3 m -74.01 151.48 40.25 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.095 -1.003 . . . . 0.0 109.549 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.487 HG23 ' HG3' ' A' ' 35' ' ' LYS . 29.8 m -129.58 164.28 32.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 121.181 -0.949 . . . . 0.0 109.793 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.81 148.71 19.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.359 -0.838 . . . . 0.0 109.399 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 26.4 t-20 -120.84 112.9 33.38 Favored Pre-proline 0 CA--C 1.536 0.423 0 O-C-N 121.312 -0.867 . . . . 0.0 109.527 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.408 ' HD2' ' H ' ' A' ' 46' ' ' ASN . 12.8 Cg_endo -89.64 -23.35 0.78 Allowed 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 124.928 3.752 . . . . 0.0 109.916 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 29.4 m120 -133.02 84.53 48.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 121.391 -0.818 . . . . 0.0 109.073 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -90.5 146.98 4.17 Favored 'Trans proline' 0 N--CA 1.477 0.513 1 C-N-CA 125.551 4.167 . . . . 0.0 110.71 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -153.58 -151.55 0.38 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.354 -0.841 . . . . 0.0 108.995 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -116.5 -34.16 4.66 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.045 -1.034 . . . . 0.0 108.644 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -69.84 2.86 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.53 -0.731 . . . . 0.0 109.361 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -98.32 52.31 1.03 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.174 -0.954 . . . . 0.0 108.771 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 42.57 69.83 0.34 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.536 0.684 . . . . 0.0 109.691 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.479 HD22 ' N ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER 61.18 93.09 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 122.25 1.024 . . . . 0.0 108.889 -179.256 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.55 -32.34 54.8 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 107.789 -2.124 . . . . 0.0 107.789 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.445 ' H ' ' H ' ' A' ' 56' ' ' CYS . . . -169.53 7.38 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 107.461 -2.256 . . . . 0.0 107.461 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.479 ' N ' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -105.74 71.55 0.92 Allowed 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.565 -0.962 . . . . 0.0 110.575 -179.788 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.44 ' OD2' ' HB2' ' A' ' 60' ' ' ALA . 0.1 OUTLIER 30.2 -92.55 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.492 0.663 . . . . 0.0 112.227 179.084 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -160.25 -19.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.185 -0.947 . . . . 0.0 108.878 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.01 -9.82 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.44 ' HB2' ' OD2' ' A' ' 57' ' ' ASP . . . -69.8 147.14 50.81 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.391 -0.818 . . . . 0.0 109.154 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 125.56 30.58 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.257 -0.902 . . . . 0.0 109.481 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.39 135.88 41.13 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.453 -0.779 . . . . 0.0 108.953 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.78 142.76 51.45 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.147 -0.97 . . . . 0.0 109.85 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.91 0.03 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.334 -0.854 . . . . 0.0 109.42 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.39 179.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.303 -0.873 . . . . 0.0 109.708 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.1 t0 56.57 16.99 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.391 -0.818 . . . . 0.0 109.838 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.517 ' HB2' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -142.05 142.22 32.84 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.247 -0.908 . . . . 0.0 109.448 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 153.28 83.75 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -177.29 -109.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.278 -1.13 . . . . 0.0 109.431 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -100.2 42.76 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.226 -0.921 . . . . 0.0 109.466 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 145.24 98.15 0.23 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -76.57 140.29 41.02 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.284 -1.127 . . . . 0.0 109.437 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.517 ' H ' ' HB2' ' A' ' 67' ' ' SER . 0.0 OUTLIER -104.9 161.98 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.285 -0.884 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.487 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.3 mm -142.46 114.0 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 O-C-N 121.304 -0.873 . . . . 0.0 109.532 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.2 152.14 23.86 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.304 -0.873 . . . . 0.0 109.216 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -130.04 140.62 50.83 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.232 -0.918 . . . . 0.0 109.782 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -143.07 121.1 12.08 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.419 -0.801 . . . . 0.0 109.089 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 106.85 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.184 -0.947 . . . . 0.0 109.517 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 79' ' ' THR . 11.7 t -78.93 43.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.295 -0.878 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.95 168.62 9.93 Favored Pre-proline 0 CA--C 1.532 0.281 0 O-C-N 121.244 -0.91 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -87.28 -48.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.658 0 C-N-CA 125.197 3.931 . . . . 0.0 110.107 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.04 16.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.235 -0.916 . . . . 0.0 109.059 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 p -66.27 116.15 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.397 -0.815 . . . . 0.0 109.545 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -139.2 69.33 40.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 121.293 -0.88 . . . . 0.0 109.18 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -31.07 111.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.48 0.686 1 C-N-CA 126.336 4.691 . . . . 0.0 111.142 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.6 mt -75.0 -35.25 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.876 ' CE2' HD21 ' A' ' 31' ' ' LEU . 6.7 m-85 -109.75 -107.14 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -116.76 25.61 10.43 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 121.685 -0.635 . . . . 0.0 109.617 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.85 -19.33 12.3 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 119.716 -1.23 . . . . 0.0 110.24 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.924 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.3 OUTLIER -65.39 -5.43 2.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 O-C-N 120.998 -1.295 . . . . 0.0 109.737 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.924 ' CE2' HD12 ' A' ' 90' ' ' ILE . 40.7 m-85 -139.84 79.77 1.73 Allowed 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.02 -1.05 . . . . 0.0 109.737 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 20.3 m -90.21 100.13 13.02 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.196 -0.94 . . . . 0.0 109.109 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.3 156.48 3.2 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.279 -0.888 . . . . 0.0 109.697 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.78 -27.6 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.371 -0.831 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 t 59.7 47.06 10.92 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.196 -0.94 . . . . 0.0 109.315 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.479 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.299 0.571 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.59 ' H ' HD13 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -133.87 -176.08 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 121.26 -0.9 . . . . 0.0 109.426 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 p -162.21 47.83 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.272 -0.892 . . . . 0.0 109.456 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -95.32 -107.94 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.188 -0.945 . . . . 0.0 109.365 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.477 ' HD2' HD11 ' A' ' 86' ' ' LEU . 32.9 p-80 -74.36 -16.09 60.91 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.296 -0.877 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.48 10.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.241 -0.912 . . . . 0.0 109.272 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.8 m 58.45 172.52 0.06 Allowed 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.368 -0.832 . . . . 0.0 109.616 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.422 HG23 ' OE2' ' A' ' 26' ' ' GLU . 2.4 t -99.71 -79.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 O-C-N 121.181 -0.949 . . . . 0.0 109.599 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -112.08 -87.81 0.54 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.222 -0.924 . . . . 0.0 109.482 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HG2' ' H ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER 56.77 -135.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.217 -0.927 . . . . 0.0 109.411 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.451 ' H ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -161.4 -90.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.253 -0.905 . . . . 0.0 109.596 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 13.7 t 65.83 126.12 0.03 OUTLIER Pre-proline 0 CA--C 1.54 0.571 0 O-C-N 121.68 -0.638 . . . . 0.0 109.314 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 29.4 Cg_endo -87.34 177.42 3.83 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 124.387 3.392 . . . . 0.0 110.604 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.4 ' H ' ' HG3' ' A' ' 14' ' ' GLN . 29.6 mt-30 -62.19 178.44 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.29 -0.881 . . . . 0.0 109.325 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.618 ' HA ' HD12 ' A' ' 31' ' ' LEU . 20.9 m-20 55.22 22.44 4.71 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.268 -0.895 . . . . 0.0 109.09 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.408 ' HA ' ' N ' ' A' ' 31' ' ' LEU . 1.4 m -160.5 125.83 3.89 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.3 -0.875 . . . . 0.0 109.528 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.52 169.3 21.31 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 109.286 -1.525 . . . . 0.0 109.286 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.66 173.07 7.09 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.071 -1.252 . . . . 0.0 109.888 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -169.92 110.82 0.43 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.325 -0.859 . . . . 0.0 109.003 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 13.2 ttt-85 -113.0 77.93 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.14 -0.975 . . . . 0.0 109.633 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.516 ' O ' HD12 ' A' ' 22' ' ' LEU . 85.9 m-70 -154.85 163.02 40.88 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.229 -0.92 . . . . 0.0 110.156 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 21' ' ' HIS . 0.7 OUTLIER 70.91 -40.0 0.46 Allowed 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.881 -0.512 . . . . 0.0 110.565 179.233 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.58 5.54 25.14 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 120.909 -1.119 . . . . 0.0 109.417 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 54.93 22.52 4.38 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.376 -0.828 . . . . 0.0 108.889 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -140.51 148.1 40.54 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.498 -0.751 . . . . 0.0 109.345 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' OE2' HG23 ' A' ' 8' ' ' VAL . 36.7 mt-10 -78.08 143.34 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.285 -0.885 . . . . 0.0 109.638 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -139.46 166.28 25.0 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.308 -0.87 . . . . 0.0 109.306 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -124.62 92.36 3.64 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.132 -0.98 . . . . 0.0 109.51 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -87.03 155.76 20.02 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -77.26 152.38 34.67 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 120.853 -1.155 . . . . 0.0 109.81 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.73 HD21 ' CE1' ' A' ' 87' ' ' PHE . 6.5 mt -59.45 -167.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.422 -0.799 . . . . 0.0 109.782 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.678 ' HG ' HG21 ' A' ' 90' ' ' ILE . 2.7 mt -77.91 163.88 25.62 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.256 -0.903 . . . . 0.0 109.169 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 57.82 17.32 4.13 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.22 -0.925 . . . . 0.0 109.428 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -122.71 177.7 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.309 -0.87 . . . . 0.0 109.333 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.481 ' HB3' ' ND2' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -154.09 -179.06 7.53 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.323 -0.86 . . . . 0.0 108.818 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -123.86 134.45 53.57 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.307 -0.871 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 65.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.313 -0.867 . . . . 0.0 109.206 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.04 -101.51 1.27 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.9 -0.56 5.96 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.244 -1.151 . . . . 0.0 109.335 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -128.84 131.88 47.73 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.247 -0.908 . . . . 0.0 109.222 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.9 m -79.59 151.55 30.57 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.191 -0.943 . . . . 0.0 109.646 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.9 m -131.46 170.11 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 121.191 -0.943 . . . . 0.0 109.826 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.0 145.68 40.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.357 -0.839 . . . . 0.0 109.752 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.481 ' ND2' ' HB3' ' A' ' 35' ' ' LYS . 27.3 t-20 -128.11 67.76 75.07 Favored Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 121.314 -0.866 . . . . 0.0 109.559 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -34.34 -33.72 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.769 1 C-N-CA 126.013 4.475 . . . . 0.0 110.455 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -131.07 91.58 35.79 Favored Pre-proline 0 CA--C 1.532 0.258 0 O-C-N 121.363 -0.836 . . . . 0.0 109.404 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -87.33 169.73 7.08 Favored 'Trans proline' 0 N--CA 1.48 0.677 0 C-N-CA 125.147 3.898 . . . . 0.0 110.168 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.782 HG23 ' HG2' ' A' ' 51' ' ' GLU . 9.6 t -155.97 -175.31 5.36 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.229 -0.919 . . . . 0.0 109.659 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.3 m -111.05 -30.69 7.39 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -18.37 14.58 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 121.384 -0.822 . . . . 0.0 109.042 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.782 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.9 pt-20 -74.04 66.39 1.2 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.464 -0.772 . . . . 0.0 108.934 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 4.2 p-10 42.08 53.44 4.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.123 0.487 . . . . 0.0 111.23 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.526 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.3 OUTLIER 62.34 67.41 0.73 Allowed 'General case' 0 N--CA 1.463 0.184 0 O-C-N 120.936 -1.102 . . . . 0.0 108.945 179.24 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.01 -49.18 5.14 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 108.711 -1.756 . . . . 0.0 108.711 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.71 -21.34 77.02 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.526 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.86 152.87 27.44 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 121.132 -1.217 . . . . 0.0 110.177 -179.804 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.8 -92.3 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 O-C-N 121.452 -0.78 . . . . 0.0 109.918 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.89 -27.99 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.268 -0.895 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -113.28 -12.06 13.12 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.243 -0.911 . . . . 0.0 109.421 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.43 177.93 2.66 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.267 -0.895 . . . . 0.0 109.391 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 120.81 41.93 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.126 -0.984 . . . . 0.0 109.658 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.94 151.5 19.36 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.273 -0.892 . . . . 0.0 109.243 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.37 152.36 35.65 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.07 -1.019 . . . . 0.0 109.5 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -145.05 -18.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.272 -0.893 . . . . 0.0 109.574 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -73.32 173.48 9.46 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.178 -0.951 . . . . 0.0 109.511 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t0 53.09 -169.39 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.464 -0.773 . . . . 0.0 109.747 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.25 -171.24 0.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.311 -0.868 . . . . 0.0 109.427 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.5 143.43 6.16 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.07 -54.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.292 -1.122 . . . . 0.0 109.394 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -105.29 -55.9 2.26 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.19 -0.944 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.08 -112.53 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -70.7 125.65 27.42 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.223 -1.163 . . . . 0.0 109.355 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.4 139.97 49.05 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.164 -0.96 . . . . 0.0 109.519 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -137.33 142.25 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 121.261 -0.899 . . . . 0.0 109.276 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.34 162.71 28.45 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.188 -0.945 . . . . 0.0 109.455 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.95 140.31 9.16 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.211 -0.931 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -144.43 116.92 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.329 -0.857 . . . . 0.0 109.091 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.2 86.52 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.269 -0.894 . . . . 0.0 109.091 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.403 ' H ' HG22 ' A' ' 79' ' ' THR . 4.4 t -81.13 29.6 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.296 -0.877 . . . . 0.0 109.384 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -91.75 176.41 2.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 121.306 -0.871 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.411 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 10.6 Cg_endo -86.68 136.46 4.47 Favored 'Trans proline' 0 N--CA 1.476 0.488 0 C-N-CA 125.265 3.977 . . . . 0.0 109.766 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 66.04 6.52 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.358 -0.839 . . . . 0.0 109.063 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 54.3 p -66.6 121.3 15.05 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.315 -0.866 . . . . 0.0 109.076 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 83' ' ' SER . 9.2 m-85 -143.33 79.47 14.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 O-C-N 121.247 -0.908 . . . . 0.0 109.447 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 24.6 Cg_exo -30.66 117.17 0.06 OUTLIER 'Trans proline' 0 N--CA 1.482 0.804 1 C-N-CA 125.96 4.44 . . . . 0.0 111.095 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.477 HD11 ' HD2' ' A' ' 5' ' ' HIS . 19.9 mt -75.95 -27.91 57.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.73 ' CE1' HD21 ' A' ' 31' ' ' LEU . 71.2 m-85 -121.0 -110.08 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.53 31.2 6.5 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.535 -0.728 . . . . 0.0 109.833 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.77 49.78 1.9 Allowed Glycine 0 CA--C 1.529 0.948 0 C-N-CA 119.656 -1.259 . . . . 0.0 110.149 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.751 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -129.45 1.54 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 O-C-N 121.158 -1.201 . . . . 0.0 109.036 179.431 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.751 ' CE2' HD12 ' A' ' 90' ' ' ILE . 94.8 m-85 -153.71 39.87 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.385 -0.822 . . . . 0.0 109.331 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 m -67.0 111.55 3.89 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.248 -0.907 . . . . 0.0 109.355 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.2 t -175.37 158.13 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.195 -0.941 . . . . 0.0 109.521 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t 176.42 0.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.359 -0.838 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.0 p -104.26 -102.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.257 -0.902 . . . . 0.0 109.463 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.405 ' HB2' ' HD1' ' A' ' 21' ' ' HIS . 1.2 t-20 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.434 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 121.328 0.585 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.0 mm 55.26 79.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 O-C-N 121.236 -0.915 . . . . 0.0 109.445 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.62 -75.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.229 -0.92 . . . . 0.0 109.429 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -169.24 24.2 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.239 -0.913 . . . . 0.0 109.499 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.438 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 0.0 OUTLIER -61.69 -16.41 48.7 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.294 -0.879 . . . . 0.0 109.382 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -60.04 -13.71 12.93 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.238 -0.914 . . . . 0.0 109.564 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 m 57.12 177.64 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.28 -0.887 . . . . 0.0 109.592 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.02 -69.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 121.175 -0.953 . . . . 0.0 109.491 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 -2.69 12.45 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.283 -0.885 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HZ2' ' HG2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -69.16 156.25 39.02 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.221 -0.924 . . . . 0.0 109.406 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -154.94 -23.63 0.12 Allowed 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.267 -0.896 . . . . 0.0 109.804 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.5 m 60.77 169.96 0.08 OUTLIER Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 121.163 -0.961 . . . . 0.0 109.087 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -85.94 169.69 8.87 Favored 'Trans proline' 0 N--CA 1.478 0.606 0 C-N-CA 125.064 3.843 . . . . 0.0 110.533 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -54.25 161.64 1.27 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.321 -0.862 . . . . 0.0 109.654 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.681 ' HA ' HD12 ' A' ' 31' ' ' LEU . 4.7 m-80 62.59 25.79 15.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.301 -0.875 . . . . 0.0 109.529 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -162.57 141.22 8.82 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.144 -0.972 . . . . 0.0 109.924 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.02 -177.67 17.79 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.77 159.04 15.51 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.233 -1.157 . . . . 0.0 109.84 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.73 ' HE2' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -157.1 97.21 1.65 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -124.21 84.13 2.24 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.142 -0.974 . . . . 0.0 110.359 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.423 ' CE1' ' HG ' ' A' ' 22' ' ' LEU . 5.6 p80 -175.63 -38.05 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.019 -1.05 . . . . 0.0 110.183 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.73 HD12 ' HE2' ' A' ' 19' ' ' PHE . 6.0 mt -75.04 -5.17 42.64 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.084 -1.01 . . . . 0.0 109.687 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -142.99 11.09 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.294 -0.879 . . . . 0.0 108.838 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 54.78 20.0 2.83 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.412 -0.805 . . . . 0.0 109.365 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mtt85 -138.31 149.15 45.38 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.394 -0.816 . . . . 0.0 108.918 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HG2' ' HZ2' ' A' ' 10' ' ' LYS . 3.8 mt-10 -81.84 116.62 21.59 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.168 -0.957 . . . . 0.0 109.965 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.21 160.81 28.31 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.352 -0.843 . . . . 0.0 109.28 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 m -113.99 108.31 16.85 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.272 -0.892 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -93.8 172.48 8.22 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.253 -0.904 . . . . 0.0 108.958 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.439 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.2 m -97.62 150.76 20.8 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 120.895 -1.128 . . . . 0.0 109.239 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.683 HD23 ' CD1' ' A' ' 90' ' ' ILE . 68.7 mt -61.0 -164.73 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.082 -1.011 . . . . 0.0 109.725 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.13 167.21 22.28 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.144 -0.972 . . . . 0.0 109.619 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 56.73 19.19 4.19 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.206 -0.934 . . . . 0.0 109.276 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 23.7 m-85 -128.29 175.45 8.46 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.319 -0.863 . . . . 0.0 109.429 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.432 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -159.53 -172.7 3.81 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -115.46 140.68 48.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.43 -0.794 . . . . 0.0 109.484 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.4 ' OE1' HG11 ' A' ' 42' ' ' VAL . 67.8 tt0 -163.93 87.28 0.5 Allowed 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.221 -0.924 . . . . 0.0 109.384 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.56 -117.91 5.93 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -120.52 12.74 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.302 -1.117 . . . . 0.0 109.419 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -146.66 139.61 25.37 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.239 -0.913 . . . . 0.0 109.183 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.5 m -70.41 150.8 45.87 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.129 -0.982 . . . . 0.0 109.15 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.432 HG23 ' HG3' ' A' ' 35' ' ' LYS . 32.1 m -126.33 174.21 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 O-C-N 121.141 -0.974 . . . . 0.0 109.687 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.7 149.41 50.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.254 -0.903 . . . . 0.0 109.454 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.73 67.69 51.28 Favored Pre-proline 0 C--N 1.331 -0.234 0 O-C-N 121.23 -0.919 . . . . 0.0 109.687 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -34.54 -43.77 0.38 Allowed 'Trans proline' 0 N--CA 1.482 0.807 1 C-N-CA 125.954 4.436 . . . . 0.0 110.461 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -129.07 89.0 49.81 Favored Pre-proline 0 CA--C 1.533 0.289 0 O-C-N 121.318 -0.864 . . . . 0.0 109.105 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -88.99 143.46 4.89 Favored 'Trans proline' 0 N--CA 1.477 0.541 1 C-N-CA 125.399 4.066 . . . . 0.0 110.604 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 t -131.86 -163.98 1.4 Allowed 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.341 -0.85 . . . . 0.0 109.159 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.45 -27.0 8.43 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.244 -0.91 . . . . 0.0 108.753 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -69.61 1.82 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -100.82 51.03 0.87 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 p30 41.56 72.12 0.18 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.285 0.564 . . . . 0.0 110.389 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.504 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER 61.68 89.48 0.08 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 122.598 1.189 . . . . 0.0 108.425 -179.675 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.81 35.13 4.58 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 107.973 -2.051 . . . . 0.0 107.973 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.67 -11.55 7.04 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 107.981 -2.048 . . . . 0.0 107.981 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.504 ' C ' HD22 ' A' ' 53' ' ' ASN . 62.4 m -111.09 128.74 55.97 Favored 'General case' 0 C--O 1.23 0.077 0 O-C-N 121.298 -1.119 . . . . 0.0 108.5 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.465 ' HB2' ' H ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -38.56 129.59 1.41 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.361 0.601 . . . . 0.0 111.03 -178.636 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.541 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . . . -52.63 -24.03 7.66 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.598 -0.689 . . . . 0.0 109.543 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.69 -16.94 19.72 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.204 -0.935 . . . . 0.0 109.474 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.465 ' H ' ' HB2' ' A' ' 57' ' ' ASP . . . -75.7 166.28 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.199 -0.938 . . . . 0.0 109.657 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -95.68 106.05 18.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.7 t -79.7 149.61 31.15 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.265 -0.897 . . . . 0.0 109.782 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.33 141.59 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.32 -0.862 . . . . 0.0 108.939 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -145.28 0.71 0.92 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.18 -0.95 . . . . 0.0 109.481 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -91.93 72.93 5.64 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.23 -0.919 . . . . 0.0 109.385 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.63 -69.01 0.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.091 -1.006 . . . . 0.0 109.46 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -106.89 -172.94 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.281 -0.887 . . . . 0.0 109.488 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.31 80.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 m -151.24 -116.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.241 -1.152 . . . . 0.0 109.4 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.53 23.97 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.292 -0.88 . . . . 0.0 109.48 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.9 103.42 0.18 Allowed Glycine 0 CA--C 1.529 0.927 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -71.37 152.53 43.08 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.247 -1.149 . . . . 0.0 109.389 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -115.42 135.56 53.99 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.222 -0.924 . . . . 0.0 109.507 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.96 130.02 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 121.386 -0.821 . . . . 0.0 109.089 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.66 142.56 50.7 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.073 -1.017 . . . . 0.0 109.676 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 m -117.62 113.96 22.69 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.293 -0.88 . . . . 0.0 109.28 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -116.5 120.4 38.63 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.206 -0.934 . . . . 0.0 109.036 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 151.41 41.65 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.073 -1.017 . . . . 0.0 108.925 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -107.89 -4.27 18.12 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.199 -0.938 . . . . 0.0 109.513 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.67 170.14 16.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.26 -0.9 . . . . 0.0 109.278 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -87.0 -49.53 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.662 1 C-N-CA 125.335 4.023 . . . . 0.0 110.076 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -82.61 21.89 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.288 -0.883 . . . . 0.0 108.906 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.1 121.15 16.93 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.501 -0.749 . . . . 0.0 109.545 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.414 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 11.8 m-85 -140.0 87.57 12.42 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 121.322 -0.861 . . . . 0.0 108.967 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 24.9 Cg_exo -30.65 110.09 0.04 OUTLIER 'Trans proline' 0 N--CA 1.483 0.867 1 C-N-CA 125.764 4.31 . . . . 0.0 111.214 -179.461 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.424 ' HG ' ' CE1' ' A' ' 5' ' ' HIS . 1.1 mm? -67.76 -20.68 65.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -142.86 -105.68 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -111.55 23.51 13.85 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.086 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.3 25.99 5.6 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 119.458 -1.353 . . . . 0.0 110.704 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.683 ' CD1' HD23 ' A' ' 31' ' ' LEU . 2.0 pt -96.76 -29.26 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 120.883 -1.363 . . . . 0.0 108.806 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.67 ' CE2' HD12 ' A' ' 90' ' ' ILE . 5.0 m-85 -137.29 107.14 6.26 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.39 -0.819 . . . . 0.0 109.162 179.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 73.6 m -99.82 102.86 14.41 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.971 -1.08 . . . . 0.0 109.197 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.438 ' HB3' ' CD2' ' A' ' 5' ' ' HIS . 30.1 t -167.77 -142.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.22 -0.925 . . . . 0.0 109.534 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t 66.31 -157.67 0.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.43 -0.794 . . . . 0.0 109.299 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.9 t -166.51 -105.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.224 -0.922 . . . . 0.0 109.448 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.483 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.5 mm -65.78 148.86 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.249 -0.907 . . . . 0.0 109.564 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 m -123.47 -97.3 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.3 -0.875 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -168.37 -20.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.313 -0.867 . . . . 0.0 109.33 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.462 ' CD2' ' CE1' ' A' ' 21' ' ' HIS . 2.7 m-70 -83.43 26.86 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.329 -0.857 . . . . 0.0 109.376 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.2 -138.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.254 -0.904 . . . . 0.0 109.454 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.55 -173.75 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.297 -0.877 . . . . 0.0 109.561 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -126.45 -60.05 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 121.271 -0.893 . . . . 0.0 109.427 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -163.98 55.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.28 -0.887 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.593 ' HZ1' ' CA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -85.98 1.59 49.58 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.19 -0.944 . . . . 0.0 109.649 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 68.14 64.45 0.36 Allowed 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.447 -0.783 . . . . 0.0 109.968 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 28' ' ' CYS . 33.2 t -104.7 138.21 19.45 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -82.37 -179.95 5.01 Favored 'Trans proline' 0 N--CA 1.484 0.926 0 C-N-CA 124.338 3.359 . . . . 0.0 111.151 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -77.99 177.87 7.93 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 121.429 -0.794 . . . . 0.0 109.027 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.881 ' HA ' HD12 ' A' ' 31' ' ' LEU . 7.3 m120 58.97 27.95 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.098 -1.001 . . . . 0.0 108.409 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.96 136.69 17.06 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.412 ' HA3' ' CE2' ' A' ' 91' ' ' PHE . . . -100.36 168.25 20.77 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.12 171.06 8.84 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.318 -1.107 . . . . 0.0 109.872 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -169.89 89.42 0.17 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -117.36 86.88 2.6 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.09 -1.006 . . . . 0.0 110.219 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.552 ' CE1' HD11 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -176.31 175.45 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.153 -0.967 . . . . 0.0 109.609 179.299 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.552 HD11 ' CE1' ' A' ' 21' ' ' HIS . 11.9 mt 72.34 -46.65 0.65 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.05 9.47 15.97 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.202 -0.936 . . . . 0.0 108.474 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 53.07 25.84 4.42 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -120.66 141.99 49.86 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.339 -0.851 . . . . 0.0 109.491 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' C ' ' HZ1' ' A' ' 10' ' ' LYS . 16.9 mt-10 -83.74 122.42 28.62 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.341 -0.849 . . . . 0.0 109.619 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.593 ' CA ' ' HZ1' ' A' ' 10' ' ' LYS . 3.1 mt-10 -129.24 157.65 41.25 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.206 -0.933 . . . . 0.0 109.598 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -130.13 101.3 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.741 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 3.4 ttmm -88.54 174.08 8.29 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.512 -0.742 . . . . 0.0 109.116 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.497 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 15.2 m -85.6 162.43 18.85 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 120.918 -1.114 . . . . 0.0 109.325 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 15' ' ' ASN . 15.6 mt -77.99 -169.06 1.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.185 -0.947 . . . . 0.0 109.763 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.477 HD23 ' HA2' ' A' ' 55' ' ' GLY . 9.4 mt -70.0 154.51 41.85 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.322 -0.861 . . . . 0.0 109.586 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 57.44 16.72 3.39 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.319 -0.863 . . . . 0.0 109.546 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -126.47 114.16 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.215 -0.928 . . . . 0.0 109.411 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' CE ' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -93.13 -171.99 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.291 -0.88 . . . . 0.0 109.301 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -123.9 134.43 53.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.566 -0.709 . . . . 0.0 109.23 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -156.25 133.97 11.03 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.164 -0.96 . . . . 0.0 109.513 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.82 -91.2 0.26 Allowed Glycine 0 CA--C 1.529 0.929 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -149.62 -2.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.237 -1.155 . . . . 0.0 109.373 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -131.37 146.14 52.15 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.221 -0.924 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.5 m -74.46 144.09 44.38 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.236 -0.915 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.403 ' CG2' ' CE ' ' A' ' 35' ' ' LYS . 34.0 m -121.77 177.7 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 121.12 -0.987 . . . . 0.0 109.741 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -82.13 131.65 35.24 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.241 -0.912 . . . . 0.0 109.695 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.432 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 10.0 t30 -105.89 134.11 19.89 Favored Pre-proline 0 CA--C 1.534 0.336 0 O-C-N 121.333 -0.854 . . . . 0.0 109.417 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 19.6 Cg_endo -91.17 -15.29 1.58 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 124.783 3.656 . . . . 0.0 109.943 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -151.69 92.69 3.61 Favored Pre-proline 0 CA--C 1.534 0.343 0 O-C-N 121.439 -0.788 . . . . 0.0 109.215 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -89.65 143.59 4.39 Favored 'Trans proline' 0 N--CA 1.479 0.674 0 C-N-CA 125.251 3.967 . . . . 0.0 110.589 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.412 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 8.5 t -129.09 -163.56 1.3 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.272 -0.892 . . . . 0.0 109.354 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.6 m -111.91 -27.99 8.22 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.195 -0.94 . . . . 0.0 108.748 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -69.89 1.43 4.46 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.46 -0.775 . . . . 0.0 108.956 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 48' ' ' THR . 9.6 pt-20 -99.77 51.15 0.92 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 4.2 p-10 42.07 73.14 0.14 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.248 0.547 . . . . 0.0 110.365 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 6.6 t-20 60.07 85.85 0.1 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.714 0.769 . . . . 0.0 109.192 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.13 44.25 2.18 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 107.993 -2.043 . . . . 0.0 107.993 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.477 ' HA2' HD23 ' A' ' 32' ' ' LEU . . . 129.42 -17.73 5.55 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 107.927 -2.069 . . . . 0.0 107.927 -178.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 57' ' ' ASP . 55.1 m -111.8 110.29 20.56 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 121.43 -1.041 . . . . 0.0 109.093 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 39.4 t0 -28.19 139.1 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.364 0.602 . . . . 0.0 111.924 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.3 -32.73 62.66 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.423 -0.798 . . . . 0.0 108.96 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -84.63 -11.45 55.93 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.376 -0.827 . . . . 0.0 109.081 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.3 157.57 15.84 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.221 -0.924 . . . . 0.0 109.64 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -84.87 168.81 14.73 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.269 -0.895 . . . . 0.0 109.435 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.1 t -134.34 152.72 51.97 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.313 -0.867 . . . . 0.0 109.475 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -142.88 142.25 31.72 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.227 -0.921 . . . . 0.0 109.27 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.02 2.67 3.38 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.249 -0.907 . . . . 0.0 109.326 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.23 166.95 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.416 -0.802 . . . . 0.0 109.445 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -55.08 142.29 31.18 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.254 -0.904 . . . . 0.0 109.471 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 m -167.18 -69.39 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.284 -0.885 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.6 -115.3 3.23 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 t -175.46 -122.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.208 -1.172 . . . . 0.0 109.486 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 t30 65.16 7.36 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.281 -0.887 . . . . 0.0 109.406 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.5 -61.45 4.73 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.544 ' H ' ' HD3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -85.54 77.17 9.92 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.333 -1.098 . . . . 0.0 109.44 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -79.18 105.9 10.83 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.293 -0.879 . . . . 0.0 109.219 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 mm -142.49 150.67 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 121.225 -0.922 . . . . 0.0 109.456 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.77 148.32 31.82 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.236 -0.915 . . . . 0.0 109.366 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -125.54 141.66 51.92 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.236 -0.915 . . . . 0.0 109.451 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.49 115.88 9.5 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.203 -0.936 . . . . 0.0 109.451 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 102.62 15.29 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.244 -0.91 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 p -66.11 -11.81 51.43 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.325 -0.859 . . . . 0.0 109.631 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 167.44 4.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 121.118 -0.989 . . . . 0.0 109.302 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.424 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 14.4 Cg_endo -88.4 -43.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.603 0 C-N-CA 125.228 3.952 . . . . 0.0 110.165 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.424 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -82.16 21.85 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.324 -0.86 . . . . 0.0 109.204 179.693 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.8 p -53.11 104.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.576 -0.702 . . . . 0.0 109.387 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.486 ' H ' ' H ' ' A' ' 93' ' ' SER . 5.3 m-85 -139.34 69.68 39.91 Favored Pre-proline 0 C--N 1.328 -0.358 0 O-C-N 121.408 -0.807 . . . . 0.0 109.211 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -31.37 141.59 0.04 OUTLIER 'Trans proline' 0 N--CA 1.481 0.752 1 C-N-CA 126.171 4.58 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' A' ' 91' ' ' PHE . 35.8 mt -103.3 -6.92 21.53 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.335 -0.853 . . . . 0.0 109.344 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.41 ' HB2' HD11 ' A' ' 90' ' ' ILE . 83.5 m-85 -152.01 -16.49 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.191 -0.943 . . . . 0.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER 167.46 -42.35 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.796 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.432 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . 167.98 9.31 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.798 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.3 pt -80.48 -12.29 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 O-C-N 121.193 -1.18 . . . . 0.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.798 ' CE2' HD12 ' A' ' 90' ' ' ILE . 52.8 m-85 -144.37 69.97 1.28 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.366 -0.834 . . . . 0.0 109.506 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 38.8 m -70.01 125.01 25.52 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.208 -0.932 . . . . 0.0 109.463 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.486 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -66.82 153.81 42.46 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.226 -0.921 . . . . 0.0 109.428 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 p -144.32 -56.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.235 -0.916 . . . . 0.0 109.499 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 28.3 t -89.0 95.06 10.17 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.298 -0.876 . . . . 0.0 109.558 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.499 179.903 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.582 HG22 ' H ' ' A' ' 4' ' ' GLN . 30.5 mm -85.4 152.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 O-C-N 121.224 -0.923 . . . . 0.0 109.431 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.44 28.32 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.27 -0.894 . . . . 0.0 109.419 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.582 ' H ' HG22 ' A' ' 2' ' ' ILE . 7.1 tt0 59.89 83.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.223 -0.923 . . . . 0.0 109.402 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -94.74 38.24 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.225 -0.922 . . . . 0.0 109.406 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.86 13.74 25.71 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.304 -0.872 . . . . 0.0 109.358 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 m 62.4 -167.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.236 -0.915 . . . . 0.0 109.424 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.0 t -102.39 -61.18 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 121.31 -0.869 . . . . 0.0 109.493 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.52 25.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.273 -0.892 . . . . 0.0 109.473 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -59.86 150.88 27.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.181 -0.949 . . . . 0.0 109.427 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -127.55 93.86 3.82 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.256 -0.903 . . . . 0.0 109.469 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 175.11 4.6 Favored Pre-proline 0 C--N 1.33 -0.259 0 O-C-N 121.317 -0.864 . . . . 0.0 109.345 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -89.44 167.73 5.14 Favored 'Trans proline' 0 N--CA 1.478 0.596 1 C-N-CA 125.541 4.161 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.6 176.43 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.262 -0.899 . . . . 0.0 109.462 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.868 ' HA ' HD12 ' A' ' 31' ' ' LEU . 8.8 m-20 55.36 21.21 4.04 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 121.201 -0.937 . . . . 0.0 109.313 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 t -159.65 155.19 25.71 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.236 -0.915 . . . . 0.0 109.79 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.05 162.67 25.64 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.5 149.08 24.62 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.187 -1.184 . . . . 0.0 109.719 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 48.2 t80 -153.12 138.28 17.38 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.315 -0.866 . . . . 0.0 109.25 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -78.99 115.32 18.6 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.239 -0.913 . . . . 0.0 109.526 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 139.33 40.66 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.29 -0.881 . . . . 0.0 109.377 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 2.7 mm? -62.44 -11.11 13.97 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.287 -0.883 . . . . 0.0 109.261 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.71 34.73 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.344 -0.848 . . . . 0.0 109.487 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 59.34 33.64 22.54 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.22 -0.925 . . . . 0.0 109.518 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -123.16 -179.39 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.18 -0.95 . . . . 0.0 109.418 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -139.37 130.82 27.02 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.323 -0.861 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.09 164.37 37.4 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.185 -0.947 . . . . 0.0 109.54 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.7 m -106.61 114.48 28.62 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.278 -0.889 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -101.86 137.71 39.8 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.259 -0.901 . . . . 0.0 109.246 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.3 m -55.52 167.12 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.156 -0.965 . . . . 0.0 109.4 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.868 HD12 ' HA ' ' A' ' 15' ' ' ASN . 18.1 mt -79.8 -168.5 1.62 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.164 -0.96 . . . . 0.0 109.651 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD12 HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -69.98 155.48 40.52 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.314 -0.867 . . . . 0.0 109.548 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.4 m120 58.32 16.78 4.25 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.353 -0.842 . . . . 0.0 109.378 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 10.0 m-85 -128.37 116.58 19.99 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.408 -0.807 . . . . 0.0 109.237 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -101.11 -176.97 3.31 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.162 -0.961 . . . . 0.0 109.025 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -109.98 136.65 48.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.444 -0.785 . . . . 0.0 109.302 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -169.94 147.61 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.25 -0.906 . . . . 0.0 109.587 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.0 -122.56 30.07 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -119.45 15.57 12.94 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.224 -1.163 . . . . 0.0 109.618 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -159.82 156.74 27.99 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.173 -0.954 . . . . 0.0 109.388 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.4 m -73.52 134.67 43.89 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.111 -0.993 . . . . 0.0 109.508 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.412 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 18.6 m -105.87 -179.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 121.247 -0.908 . . . . 0.0 109.647 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.46 144.42 39.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.439 -0.788 . . . . 0.0 109.754 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -127.5 75.81 77.24 Favored Pre-proline 0 CA--C 1.532 0.275 0 O-C-N 121.468 -0.77 . . . . 0.0 109.269 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -31.54 -36.25 0.05 OUTLIER 'Trans proline' 0 N--CA 1.483 0.856 1 C-N-CA 125.96 4.44 . . . . 0.0 111.289 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.02 91.45 8.03 Favored Pre-proline 0 CA--C 1.533 0.326 0 O-C-N 121.11 -0.994 . . . . 0.0 109.619 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -51.9 175.5 0.07 OUTLIER 'Trans proline' 0 N--CA 1.485 1.014 0 C-N-CA 124.041 3.161 . . . . 0.0 109.642 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.878 HG21 ' CG ' ' A' ' 51' ' ' GLU . 6.6 t -130.3 -166.06 1.63 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.036 -1.04 . . . . 0.0 109.732 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.9 m -148.8 -37.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -65.86 -5.66 9.78 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.546 -0.721 . . . . 0.0 109.079 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.878 ' CG ' HG21 ' A' ' 48' ' ' THR . 34.5 mm-40 -92.89 49.85 1.49 Allowed 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.147 -0.971 . . . . 0.0 108.61 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 6.4 p30 40.98 69.79 0.31 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.064 0.459 . . . . 0.0 110.413 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.8 OUTLIER 70.81 83.06 0.15 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.623 0.725 . . . . 0.0 109.354 -179.664 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.8 -23.82 31.3 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 108.604 -1.798 . . . . 0.0 108.604 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.428 ' H ' ' H ' ' A' ' 56' ' ' CYS . . . 162.75 11.71 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 107.481 -2.248 . . . . 0.0 107.481 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.53 ' O ' ' O ' ' A' ' 57' ' ' ASP . 61.1 m -95.68 69.76 2.97 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 118.958 -1.097 . . . . 0.0 110.43 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.545 ' HB3' ' H ' ' A' ' 60' ' ' ALA . 6.1 t0 39.28 120.71 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 122.292 1.044 . . . . 0.0 112.903 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.43 -17.53 1.25 Allowed 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.74 -1.225 . . . . 0.0 109.968 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -17.18 15.38 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.164 -0.96 . . . . 0.0 109.526 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.545 ' H ' ' HB3' ' A' ' 57' ' ' ASP . . . -87.53 170.41 11.35 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 121.084 -1.01 . . . . 0.0 109.651 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HD3' ' H ' ' A' ' 62' ' ' CYS . 0.0 OUTLIER -95.55 176.48 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.325 -0.859 . . . . 0.0 109.327 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.418 ' H ' ' HD3' ' A' ' 61' ' ' LYS . 3.3 t -134.08 136.0 43.64 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.304 -0.873 . . . . 0.0 109.391 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.63 140.11 52.3 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.181 -0.95 . . . . 0.0 109.471 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.04 18.27 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.289 -0.882 . . . . 0.0 109.768 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.46 123.74 12.89 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.34 -0.85 . . . . 0.0 109.718 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.3 169.75 3.42 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.325 -0.86 . . . . 0.0 109.467 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 t -148.57 -5.27 0.43 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.321 -0.862 . . . . 0.0 109.417 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.68 -116.04 0.4 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.4 160.11 20.34 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.205 -1.174 . . . . 0.0 109.464 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m120 55.43 62.39 2.48 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.339 -0.85 . . . . 0.0 109.561 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.67 109.06 0.93 Allowed Glycine 0 CA--C 1.529 0.92 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.47 155.0 20.71 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.193 -1.181 . . . . 0.0 109.353 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -113.92 123.69 50.37 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.187 -0.946 . . . . 0.0 109.671 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.8 mm -112.33 153.13 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 121.301 -0.874 . . . . 0.0 109.175 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.5 m -157.56 156.75 32.49 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.144 -0.972 . . . . 0.0 109.725 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.2 m -112.24 135.18 53.24 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.355 -0.841 . . . . 0.0 109.142 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -128.06 92.12 3.4 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.154 -0.966 . . . . 0.0 109.577 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.8 m -57.37 131.83 51.25 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.249 -0.907 . . . . 0.0 109.872 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 t -84.89 21.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.352 -0.842 . . . . 0.0 108.846 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.09 169.24 14.3 Favored Pre-proline 0 C--N 1.331 -0.219 0 O-C-N 121.418 -0.802 . . . . 0.0 109.161 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -83.56 126.78 4.19 Favored 'Trans proline' 0 N--CA 1.479 0.621 0 C-N-CA 124.79 3.66 . . . . 0.0 109.228 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.9 t70 72.63 -52.64 0.7 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.38 139.97 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.571 -0.706 . . . . 0.0 109.835 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.01 68.16 10.39 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 121.105 -0.997 . . . . 0.0 109.277 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -33.6 125.83 0.15 Allowed 'Trans proline' 0 N--CA 1.481 0.763 1 C-N-CA 126.055 4.504 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.617 HD21 ' O ' ' A' ' 93' ' ' SER . 84.6 mt -75.08 -30.38 60.92 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CG ' HD11 ' A' ' 90' ' ' ILE . 61.9 m-85 -128.55 -105.19 0.31 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -115.22 23.73 12.23 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.351 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.37 -19.57 8.58 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 119.567 -1.301 . . . . 0.0 110.55 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.758 ' CD1' HD23 ' A' ' 31' ' ' LEU . 4.3 pt -54.96 -32.48 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 O-C-N 121.092 -1.24 . . . . 0.0 109.235 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CB ' HD12 ' A' ' 86' ' ' LEU . 17.3 m-85 -128.59 -176.32 3.8 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.328 -0.858 . . . . 0.0 108.917 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -166.6 44.95 0.06 Allowed 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.416 -0.802 . . . . 0.0 109.16 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.617 ' O ' HD21 ' A' ' 86' ' ' LEU . 23.0 t -124.41 -166.08 1.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.105 -0.997 . . . . 0.0 109.57 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -102.18 175.62 5.46 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.188 -0.945 . . . . 0.0 109.505 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -110.18 -142.79 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.229 -0.919 . . . . 0.0 109.459 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.324 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.92 -21.61 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.239 -0.913 . . . . 0.0 109.361 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.2 40.12 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.26 -0.9 . . . . 0.0 109.52 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.402 ' C ' ' H ' ' A' ' 6' ' ' GLN . 38.9 mt-30 57.82 -127.23 1.64 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.243 -0.91 . . . . 0.0 109.433 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 69.66 -8.56 0.76 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 121.487 -0.758 . . . . 0.0 110.026 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' A' ' 4' ' ' GLN . 5.3 mm100 -68.89 -20.08 64.24 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 120.984 -1.073 . . . . 0.0 109.56 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 10' ' ' LYS . 38.0 m 58.09 179.02 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.233 -0.917 . . . . 0.0 109.434 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.771 HG13 ' OE1' ' A' ' 26' ' ' GLU . 5.4 m -106.23 17.45 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 121.259 -0.901 . . . . 0.0 109.186 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt 64.0 76.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.377 -0.827 . . . . 0.0 109.444 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HZ3' ' HB3' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -102.04 -11.16 19.1 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.08 -1.013 . . . . 0.0 109.049 179.705 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 66.5 83.24 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.45 -0.781 . . . . 0.0 109.833 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -85.97 174.99 4.88 Favored Pre-proline 0 CA--C 1.531 0.237 0 O-C-N 121.113 -0.992 . . . . 0.0 109.045 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -88.2 161.09 7.06 Favored 'Trans proline' 0 N--CA 1.478 0.575 1 C-N-CA 125.39 4.06 . . . . 0.0 110.507 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -55.33 176.99 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.236 -0.915 . . . . 0.0 109.614 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 55.24 23.15 5.25 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.191 -0.943 . . . . 0.0 109.036 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -161.18 159.12 28.49 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.316 -0.865 . . . . 0.0 109.617 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.67 158.5 27.06 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.73 155.07 26.91 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.24 -1.153 . . . . 0.0 109.592 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 31.2 t80 -162.65 134.93 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.336 -0.852 . . . . 0.0 109.45 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -78.37 112.44 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.347 -0.845 . . . . 0.0 109.232 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.48 136.68 37.68 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.435 -0.79 . . . . 0.0 109.653 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.5 mm? -60.14 -14.27 16.28 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.335 -0.853 . . . . 0.0 109.287 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.41 29.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.271 -0.893 . . . . 0.0 109.461 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 64.54 33.03 11.22 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.374 -0.828 . . . . 0.0 109.679 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.21 -178.18 3.8 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.244 -0.91 . . . . 0.0 109.43 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.771 ' OE1' HG13 ' A' ' 8' ' ' VAL . 34.5 mt-10 -143.38 135.69 27.08 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.291 -0.88 . . . . 0.0 109.452 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.6 162.43 21.57 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.164 -0.96 . . . . 0.0 109.621 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 85.0 m -105.36 112.57 25.73 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.283 -0.885 . . . . 0.0 109.315 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.73 141.49 29.89 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.249 -0.907 . . . . 0.0 108.818 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 4.6 m -52.98 165.34 0.31 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.225 -0.922 . . . . 0.0 109.927 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 90' ' ' ILE . 48.5 mt -76.47 -165.67 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.213 -0.929 . . . . 0.0 110.232 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.527 ' HG ' HG22 ' A' ' 90' ' ' ILE . 3.3 mt -70.46 153.8 42.56 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 121.455 -0.778 . . . . 0.0 109.868 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 54.09 20.34 2.46 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.305 -0.872 . . . . 0.0 109.697 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.448 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 11.8 m-85 -125.1 116.65 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.167 -0.958 . . . . 0.0 109.234 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.59 -171.72 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.132 -0.98 . . . . 0.0 109.306 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.39 143.2 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.585 -0.697 . . . . 0.0 109.414 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -157.37 121.27 4.2 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.175 -0.953 . . . . 0.0 109.39 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.21 -103.59 0.56 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.42 2.99 5.09 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.252 -1.146 . . . . 0.0 109.489 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 142.86 47.99 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.178 -0.951 . . . . 0.0 109.365 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.9 m -71.85 142.02 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.243 -0.911 . . . . 0.0 109.23 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -114.44 179.96 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 O-C-N 121.2 -0.937 . . . . 0.0 109.555 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.63 135.64 38.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.223 -0.923 . . . . 0.0 109.569 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.8 t-20 -116.41 124.85 29.04 Favored Pre-proline 0 CA--C 1.537 0.464 0 O-C-N 121.238 -0.914 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 18.1 Cg_endo -92.2 -16.28 1.09 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 124.773 3.649 . . . . 0.0 110.345 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -129.28 97.61 25.23 Favored Pre-proline 0 CA--C 1.534 0.36 0 O-C-N 121.289 -0.882 . . . . 0.0 109.755 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -89.84 176.59 2.78 Favored 'Trans proline' 0 N--CA 1.478 0.572 0 C-N-CA 125.254 3.969 . . . . 0.0 109.813 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.816 HG21 ' HG3' ' A' ' 51' ' ' GLU . 10.3 t -153.07 -152.41 0.42 Allowed 'General case' 0 CA--C 1.533 0.307 0 O-C-N 120.93 -1.106 . . . . 0.0 110.311 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.605 ' N ' HG23 ' A' ' 48' ' ' THR . 85.3 m -150.0 -43.9 0.13 Allowed 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -67.61 2.55 1.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.558 -0.714 . . . . 0.0 110.022 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.816 ' HG3' HG21 ' A' ' 48' ' ' THR . 44.5 mt-10 -103.31 58.5 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 120.981 -1.075 . . . . 0.0 108.724 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 4.2 p-10 41.06 72.51 0.16 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.163 0.506 . . . . 0.0 110.757 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.45 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 11.1 t-20 59.75 84.87 0.11 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.665 0.745 . . . . 0.0 109.314 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.13 -35.75 89.24 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 107.676 -2.169 . . . . 0.0 107.676 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.458 ' HA3' HD23 ' A' ' 32' ' ' LEU . . . -159.18 -4.45 0.06 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 107.379 -2.288 . . . . 0.0 107.379 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ASP . 96.5 m -111.62 119.24 38.02 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.635 -0.921 . . . . 0.0 109.419 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.468 ' HB3' ' HB2' ' A' ' 60' ' ' ALA . 24.4 t0 -27.43 138.89 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.433 0.635 . . . . 0.0 111.934 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.61 -32.7 59.22 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 121.352 -0.842 . . . . 0.0 109.094 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' OD1' HD11 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -86.68 -11.46 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.322 -0.861 . . . . 0.0 109.041 179.701 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . . . -85.76 149.26 25.4 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.284 -0.885 . . . . 0.0 109.376 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -78.88 105.22 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.238 -0.913 . . . . 0.0 109.205 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.1 t -83.91 125.39 31.96 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.359 -0.838 . . . . 0.0 109.424 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.08 141.29 52.12 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.222 -0.924 . . . . 0.0 109.536 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -151.88 -2.79 0.29 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.237 -0.914 . . . . 0.0 109.699 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -88.64 177.34 6.78 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.159 -0.963 . . . . 0.0 109.509 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t70 55.52 17.28 2.18 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.275 -0.891 . . . . 0.0 110.023 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.1 t -161.26 74.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.178 -0.951 . . . . 0.0 109.474 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.7 86.82 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.9 t -130.28 -91.26 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.33 -1.1 . . . . 0.0 109.451 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -92.0 36.95 0.97 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.205 -0.934 . . . . 0.0 109.443 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 144.93 113.91 0.89 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.04 130.87 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.293 -1.122 . . . . 0.0 109.372 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -105.89 125.29 50.81 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.255 -0.903 . . . . 0.0 109.466 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.2 mm -113.66 148.1 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 O-C-N 121.281 -0.887 . . . . 0.0 109.203 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.73 150.33 36.05 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.139 -0.976 . . . . 0.0 109.651 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 m -120.34 132.22 55.19 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.368 -0.832 . . . . 0.0 109.117 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -134.56 94.32 3.18 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.153 -0.967 . . . . 0.0 109.733 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.6 m -61.15 119.55 8.6 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.208 -0.933 . . . . 0.0 109.408 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 t -76.52 13.32 1.0 Allowed 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.314 -0.866 . . . . 0.0 109.65 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -83.0 168.47 22.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 O-C-N 121.227 -0.921 . . . . 0.0 109.166 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -82.8 128.05 5.06 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 124.86 3.707 . . . . 0.0 109.289 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 72.28 -52.1 0.7 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.403 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.3 OUTLIER 61.58 155.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.475 -0.766 . . . . 0.0 110.315 179.116 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.654 ' H ' ' H ' ' A' ' 93' ' ' SER . 56.0 m-85 -152.31 105.27 2.77 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -86.11 123.92 2.41 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 124.84 3.693 . . . . 0.0 110.246 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 94' ' ' SER . 1.8 mt -82.85 -23.08 33.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CD2' HD11 ' A' ' 90' ' ' ILE . 74.1 m-85 -128.19 -112.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.48 28.92 8.39 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.569 -0.707 . . . . 0.0 109.9 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.86 -9.83 27.56 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 119.608 -1.282 . . . . 0.0 110.375 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.578 HD11 ' CD2' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -55.5 -30.22 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 O-C-N 121.062 -1.258 . . . . 0.0 108.762 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.488 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 23.4 m-85 -132.4 161.54 33.37 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.368 -0.833 . . . . 0.0 108.886 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 33.5 m -135.84 162.0 34.04 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.141 -0.974 . . . . 0.0 109.282 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.654 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER 66.85 131.04 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.442 -0.786 . . . . 0.0 109.463 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.429 ' HB3' HD21 ' A' ' 86' ' ' LEU . 3.2 p -161.73 -176.5 5.31 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.194 -0.942 . . . . 0.0 109.429 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.3 t -119.26 153.03 35.66 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.301 -0.874 . . . . 0.0 109.416 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.459 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 2' ' ' ILE . 9.4 mm 58.99 67.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 O-C-N 121.245 -0.909 . . . . 0.0 109.376 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 t -125.98 -136.2 0.26 Allowed 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.232 -0.918 . . . . 0.0 109.428 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 65.53 148.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.29 -0.881 . . . . 0.0 109.453 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.83 ' HB2' HD11 ' A' ' 86' ' ' LEU . 2.2 m170 55.09 36.26 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.303 -0.873 . . . . 0.0 109.285 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -108.92 -0.43 19.7 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.36 -0.838 . . . . 0.0 109.235 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 m 63.23 172.35 0.16 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.306 -0.871 . . . . 0.0 109.493 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.95 127.69 68.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 121.304 -0.873 . . . . 0.0 109.369 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 58.37 38.66 25.83 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.282 -0.886 . . . . 0.0 109.397 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HG3' ' H ' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -95.68 -161.61 0.88 Allowed 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.273 -0.892 . . . . 0.0 109.462 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.464 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -143.31 19.88 1.9 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.318 -0.864 . . . . 0.0 109.348 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 t -54.55 114.18 6.38 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 121.304 -0.873 . . . . 0.0 109.183 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -84.41 -174.71 1.9 Allowed 'Trans proline' 0 N--CA 1.483 0.889 0 C-N-CA 124.786 3.657 . . . . 0.0 110.951 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -68.13 176.62 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.521 -0.737 . . . . 0.0 109.386 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.656 ' HA ' HD12 ' A' ' 31' ' ' LEU . 71.9 m-20 55.18 22.99 5.01 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.214 -0.929 . . . . 0.0 108.868 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 p -163.45 127.14 2.77 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.5 -0.75 . . . . 0.0 109.219 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.84 149.86 19.31 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -81.54 168.86 17.78 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.187 -1.184 . . . . 0.0 109.365 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -158.2 153.93 26.49 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 6.5 ttp180 179.19 -144.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 5' ' ' HIS . 19.7 m-70 59.86 4.71 0.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.466 -0.771 . . . . 0.0 110.89 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 mt -120.38 7.11 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 120.92 -1.113 . . . . 0.0 108.371 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' H ' ' H ' ' A' ' 24' ' ' GLU . 44.9 p-10 -179.37 9.72 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' H ' ' H ' ' A' ' 23' ' ' ASP . 0.3 OUTLIER 67.82 9.13 6.9 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.959 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -177.55 52.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.072 -1.017 . . . . 0.0 109.935 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 20' ' ' ARG . 69.5 mm-40 -55.54 -90.06 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.406 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 170.78 -178.11 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.676 -0.64 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 t -107.94 108.24 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.319 -0.863 . . . . 0.0 108.877 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -87.48 161.25 17.92 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.232 -0.917 . . . . 0.0 109.237 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.432 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 39.7 m -77.71 164.85 24.9 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 120.977 -1.077 . . . . 0.0 109.274 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.913 HD21 ' CE1' ' A' ' 87' ' ' PHE . 4.8 mt -72.21 -170.77 0.66 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.181 -0.949 . . . . 0.0 109.759 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.573 ' HG ' HD13 ' A' ' 90' ' ' ILE . 5.7 mt -73.29 152.85 40.81 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.273 -0.892 . . . . 0.0 109.208 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 58.76 16.66 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.182 -0.949 . . . . 0.0 109.315 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.403 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 10.5 m-85 -123.01 113.56 19.22 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.404 -0.81 . . . . 0.0 109.205 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -98.63 -179.98 4.49 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.171 -0.955 . . . . 0.0 109.159 179.809 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -98.13 141.11 31.47 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.305 -0.872 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.36 126.03 1.91 Allowed 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.16 -0.962 . . . . 0.0 109.437 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.26 8.87 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -123.57 13.75 9.42 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.25 -1.147 . . . . 0.0 109.405 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.1 147.75 30.91 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.248 -0.907 . . . . 0.0 109.107 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.1 m -75.3 127.44 33.17 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.104 -0.997 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.469 HG22 ' HG3' ' A' ' 35' ' ' LYS . 2.5 m -99.28 -179.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 O-C-N 121.101 -0.999 . . . . 0.0 109.786 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.23 140.13 40.03 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.572 -0.705 . . . . 0.0 109.651 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -129.87 68.12 80.31 Favored Pre-proline 0 C--N 1.331 -0.204 0 O-C-N 121.327 -0.858 . . . . 0.0 109.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -33.41 -34.32 0.06 OUTLIER 'Trans proline' 0 N--CA 1.482 0.802 1 C-N-CA 126.019 4.479 . . . . 0.0 110.856 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -123.45 89.35 51.19 Favored Pre-proline 0 CA--C 1.532 0.284 0 O-C-N 121.144 -0.973 . . . . 0.0 109.746 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -90.13 173.5 3.37 Favored 'Trans proline' 0 N--CA 1.478 0.609 1 C-N-CA 125.455 4.103 . . . . 0.0 110.073 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.648 HG23 ' HG2' ' A' ' 51' ' ' GLU . 12.8 t -153.32 -175.67 5.45 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.099 -1.0 . . . . 0.0 109.827 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.8 m -108.0 -29.9 8.75 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -56.87 -18.27 12.51 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.401 -0.812 . . . . 0.0 108.914 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.648 ' HG2' HG23 ' A' ' 48' ' ' THR . 6.4 pt-20 -74.19 65.9 1.21 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 41.82 54.28 3.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.204 0.526 . . . . 0.0 111.205 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.531 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.3 OUTLIER 61.59 66.66 0.83 Allowed 'General case' 0 N--CA 1.462 0.146 0 O-C-N 120.984 -1.073 . . . . 0.0 108.916 179.294 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.13 -50.47 5.12 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.48 -20.52 76.73 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.531 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 0.9 OUTLIER -112.28 145.66 39.59 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.069 -1.253 . . . . 0.0 110.462 -179.753 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' HB3' ' CA ' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -52.77 -91.19 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 O-C-N 121.443 -0.786 . . . . 0.0 109.839 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.04 -25.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.339 -0.851 . . . . 0.0 109.427 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.63 -13.85 13.24 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.227 -0.921 . . . . 0.0 109.563 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 171.56 9.07 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.163 -0.961 . . . . 0.0 109.536 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.4 121.1 41.32 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.303 -0.873 . . . . 0.0 109.431 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.98 147.97 23.45 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.247 -0.908 . . . . 0.0 109.432 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.84 152.21 26.57 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.186 -0.946 . . . . 0.0 109.662 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.61 0.47 5.52 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.252 -0.905 . . . . 0.0 109.519 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -71.93 133.47 45.41 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.263 -0.898 . . . . 0.0 109.461 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 t0 52.92 -156.91 0.16 Allowed 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.463 -0.773 . . . . 0.0 109.745 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.5 m 56.4 64.65 1.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.289 -0.882 . . . . 0.0 109.391 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.32 145.44 16.91 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.5 -74.44 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.218 -1.166 . . . . 0.0 109.495 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -59.65 -38.66 82.05 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.185 -0.947 . . . . 0.0 109.347 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 165.15 -60.85 0.24 Allowed Glycine 0 CA--C 1.529 0.92 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.93 128.33 33.76 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.218 -1.166 . . . . 0.0 109.471 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.37 105.33 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.25 -0.906 . . . . 0.0 109.299 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -143.86 133.56 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 O-C-N 121.286 -0.884 . . . . 0.0 109.423 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 160.29 38.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.227 -0.921 . . . . 0.0 109.536 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.2 m -152.22 147.35 26.29 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.311 -0.868 . . . . 0.0 109.666 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -147.29 104.15 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.262 -0.899 . . . . 0.0 109.38 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.0 m -69.36 131.6 45.08 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.296 -0.877 . . . . 0.0 109.429 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 79' ' ' THR . 6.4 t -93.13 28.39 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.229 -0.919 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -84.16 151.55 60.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 121.244 -0.91 . . . . 0.0 109.178 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.44 ' HB2' ' H ' ' A' ' 82' ' ' ASP . 3.5 Cg_exo -38.61 -93.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.482 0.846 0 C-N-CA 125.112 3.875 . . . . 0.0 109.994 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.44 ' H ' ' HB2' ' A' ' 81' ' ' PRO . 3.6 t0 -83.92 -8.39 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 120.724 -1.235 . . . . 0.0 107.791 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.6 OUTLIER 61.52 151.94 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 109.946 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 83' ' ' SER . 61.7 m-85 -155.04 88.18 3.22 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 120.994 -1.066 . . . . 0.0 108.862 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -90.12 133.0 1.94 Allowed 'Trans proline' 0 N--CA 1.476 0.454 1 C-N-CA 125.707 4.272 . . . . 0.0 110.7 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.83 HD11 ' HB2' ' A' ' 5' ' ' HIS . 98.7 mt -79.7 -9.08 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.913 ' CE1' HD21 ' A' ' 31' ' ' LEU . 86.4 m-85 -149.84 -113.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -105.18 21.88 16.35 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.446 -0.784 . . . . 0.0 109.957 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.51 48.12 0.76 Allowed Glycine 0 CA--C 1.53 0.979 0 C-N-CA 119.538 -1.315 . . . . 0.0 110.402 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.689 HD12 ' HE2' ' A' ' 91' ' ' PHE . 0.7 OUTLIER -127.57 7.48 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 121.118 -1.225 . . . . 0.0 109.186 179.246 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.689 ' HE2' HD12 ' A' ' 90' ' ' ILE . 96.8 m-85 -148.13 22.18 1.08 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.232 -0.917 . . . . 0.0 109.437 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.6 134.42 41.28 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.331 -0.855 . . . . 0.0 109.599 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.48 169.79 18.2 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.176 -0.953 . . . . 0.0 109.574 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.3 t -104.22 59.66 0.72 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.266 -0.896 . . . . 0.0 109.313 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.1 t -103.29 140.99 36.68 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.221 -0.925 . . . . 0.0 109.31 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.466 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 64.36 150.19 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 O-C-N 121.317 -0.864 . . . . 0.0 109.423 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -162.39 -112.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.208 -0.932 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 62.32 103.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.209 -0.932 . . . . 0.0 109.431 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 55.22 29.03 12.03 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.277 -0.889 . . . . 0.0 109.415 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -103.22 148.49 25.74 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.224 -0.923 . . . . 0.0 109.458 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.9 m -89.97 178.53 6.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.244 -0.91 . . . . 0.0 109.434 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 9' ' ' LYS . 3.2 m -105.03 -110.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 O-C-N 121.179 -0.951 . . . . 0.0 109.366 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' H ' HG23 ' A' ' 8' ' ' VAL . 2.2 ptmm? -96.5 14.44 24.62 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.22 -0.925 . . . . 0.0 109.316 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' CG ' ' H ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -59.98 -179.46 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.241 -0.912 . . . . 0.0 109.409 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.453 ' H ' ' CG ' ' A' ' 10' ' ' LYS . 1.6 pt20 -141.92 135.93 29.92 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.21 -0.931 . . . . 0.0 109.661 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -127.32 138.37 32.63 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -81.12 -174.61 2.29 Favored 'Trans proline' 0 N--CA 1.483 0.872 0 C-N-CA 124.21 3.273 . . . . 0.0 110.926 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.29 172.26 12.76 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.873 ' HA ' HD12 ' A' ' 31' ' ' LEU . 3.6 m-20 56.01 21.76 5.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.094 -1.004 . . . . 0.0 108.769 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 p -157.27 137.41 12.67 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.45 -0.781 . . . . 0.0 109.263 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.36 165.47 12.14 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.98 160.91 16.13 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.155 -1.203 . . . . 0.0 109.744 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -170.01 140.06 1.95 Allowed 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.283 -0.886 . . . . 0.0 109.338 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -92.02 116.25 28.76 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.187 -0.946 . . . . 0.0 109.294 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.407 ' CG ' ' HG2' ' A' ' 25' ' ' ARG . 7.9 m170 -54.25 140.71 32.01 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.33 -0.856 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 22' ' ' LEU . 6.7 mp -67.54 -2.22 6.24 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.298 -0.876 . . . . 0.0 109.367 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.47 33.39 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.281 -0.887 . . . . 0.0 109.228 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.18 61.97 2.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.285 -0.884 . . . . 0.0 109.498 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HG2' ' CG ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -150.94 124.97 9.26 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.219 -0.926 . . . . 0.0 109.132 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -87.92 118.69 27.64 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.124 -0.985 . . . . 0.0 109.798 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.84 165.41 31.59 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.275 -0.891 . . . . 0.0 109.369 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.49 125.53 44.38 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.279 -0.888 . . . . 0.0 108.86 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 -179.22 4.49 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.446 -0.784 . . . . 0.0 109.706 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 8.4 m -83.35 166.48 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.289 -0.882 . . . . 0.0 109.926 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.873 HD12 ' HA ' ' A' ' 15' ' ' ASN . 16.4 mt -76.49 -167.21 0.76 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.364 -0.835 . . . . 0.0 109.807 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.532 ' CD1' HG22 ' A' ' 90' ' ' ILE . 1.1 mt -73.43 151.98 40.94 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.296 -0.878 . . . . 0.0 109.386 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 58.22 17.4 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.29 -0.882 . . . . 0.0 109.319 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 11.6 m-85 -124.88 116.96 23.05 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.419 -0.801 . . . . 0.0 109.087 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.547 ' HZ3' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -96.46 -176.59 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -122.49 138.71 54.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.506 -0.746 . . . . 0.0 109.299 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -155.08 87.91 1.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.107 -0.996 . . . . 0.0 109.699 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.01 -104.27 2.43 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.89 2.78 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.238 -1.154 . . . . 0.0 109.575 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -137.19 145.85 44.19 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.207 -0.933 . . . . 0.0 109.424 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.4 m -86.47 139.92 30.43 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.227 -0.92 . . . . 0.0 109.543 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.47 -179.43 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 O-C-N 121.279 -0.888 . . . . 0.0 109.484 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.35 142.28 48.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.265 -0.897 . . . . 0.0 109.398 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -120.84 128.87 25.56 Favored Pre-proline 0 CA--C 1.537 0.453 0 O-C-N 121.179 -0.95 . . . . 0.0 109.447 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -92.17 -16.64 1.04 Allowed 'Trans proline' 0 N--CA 1.478 0.608 0 C-N-CA 124.76 3.64 . . . . 0.0 110.029 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -145.39 97.99 4.66 Favored Pre-proline 0 CA--C 1.534 0.327 0 O-C-N 121.347 -0.845 . . . . 0.0 109.153 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -88.09 123.19 1.64 Allowed 'Trans proline' 0 N--CA 1.478 0.599 0 C-N-CA 125.064 3.843 . . . . 0.0 110.646 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 49' ' ' CYS . 54.9 m -89.87 163.25 15.08 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 121.399 -0.813 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.519 ' N ' HG22 ' A' ' 48' ' ' THR . 98.5 m -112.78 -38.45 4.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.197 -0.939 . . . . 0.0 108.574 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.38 -8.07 5.43 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -81.88 -164.09 0.75 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -79.64 64.93 4.65 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.049 -1.032 . . . . 0.0 108.85 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 60.2 83.48 0.14 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.19 -35.81 55.7 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 108.291 -1.924 . . . . 0.0 108.291 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.447 ' H ' ' H ' ' A' ' 56' ' ' CYS . . . -169.89 -1.09 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 107.562 -2.215 . . . . 0.0 107.562 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.447 ' H ' ' H ' ' A' ' 55' ' ' GLY . 75.2 m -112.29 122.59 48.16 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.583 -0.951 . . . . 0.0 109.051 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 56' ' ' CYS . 0.0 OUTLIER -25.83 127.25 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.351 0.595 . . . . 0.0 111.855 -179.005 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.43 -25.41 15.88 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.577 -0.702 . . . . 0.0 109.747 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.482 ' OD1' HD21 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -98.6 -3.67 35.71 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 121.208 -0.932 . . . . 0.0 109.685 -179.75 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . . . -89.08 167.13 13.39 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.087 -1.008 . . . . 0.0 109.716 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -88.83 120.13 29.95 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.289 -0.882 . . . . 0.0 108.813 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.04 148.34 22.26 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.226 -0.921 . . . . 0.0 109.931 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.611 ' OG1' HG23 ' A' ' 75' ' ' THR . 0.5 OUTLIER -143.08 140.27 30.83 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.243 -0.911 . . . . 0.0 109.272 179.49 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.51 0.91 3.36 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.371 -0.831 . . . . 0.0 109.542 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -89.82 63.42 6.07 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.233 -0.917 . . . . 0.0 109.451 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.35 -166.82 2.65 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.215 -0.928 . . . . 0.0 109.37 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.9 p -178.44 133.62 0.14 Allowed 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.202 -0.936 . . . . 0.0 109.418 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 151.25 31.68 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.9 m -120.58 -96.62 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.306 -1.114 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -146.04 -22.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.317 -0.864 . . . . 0.0 109.235 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.89 -94.13 0.09 OUTLIER Glycine 0 CA--C 1.529 0.95 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 115.75 4.49 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.242 -1.152 . . . . 0.0 109.297 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.66 106.34 18.27 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.196 -0.94 . . . . 0.0 109.501 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.545 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.4 mm -145.58 107.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 O-C-N 121.245 -0.91 . . . . 0.0 109.339 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.611 HG23 ' OG1' ' A' ' 63' ' ' THR . 1.5 t -113.8 168.97 9.34 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.108 -0.995 . . . . 0.0 109.882 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.2 m -127.85 156.99 41.67 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.524 -0.735 . . . . 0.0 109.302 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -159.47 91.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.266 -0.896 . . . . 0.0 109.413 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 83' ' ' SER . 72.1 m -54.14 135.21 43.99 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.229 -0.919 . . . . 0.0 109.264 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.8 t -90.59 -19.57 23.56 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.231 -0.918 . . . . 0.0 109.797 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -54.99 170.58 0.35 Allowed Pre-proline 0 CA--C 1.532 0.277 0 O-C-N 121.18 -0.95 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -88.52 -54.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.478 0.581 1 C-N-CA 125.409 4.073 . . . . 0.0 110.239 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.82 21.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.332 -0.855 . . . . 0.0 109.042 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.409 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -82.67 131.33 35.21 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.529 -0.732 . . . . 0.0 109.541 -179.71 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.443 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 20.5 m-85 -145.69 95.97 4.83 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 27.8 Cg_exo -29.8 106.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.484 0.927 1 C-N-CA 125.686 4.257 . . . . 0.0 111.594 -178.555 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.661 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -66.39 -63.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 179.073 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.748 ' CE2' HD21 ' A' ' 31' ' ' LEU . 14.0 m-85 -81.09 -116.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.99 29.88 7.38 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.85 22.78 7.8 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.532 HG22 ' CD1' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -96.93 -36.85 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.18 -1.188 . . . . 0.0 109.755 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.661 ' CE2' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -143.93 110.35 5.5 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.085 -1.009 . . . . 0.0 109.18 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.5 m -82.98 158.83 22.4 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 120.957 -1.089 . . . . 0.0 109.525 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.13 -179.61 3.2 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.272 -0.893 . . . . 0.0 109.452 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.86 156.83 18.72 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.244 -0.91 . . . . 0.0 109.36 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.1 t -148.01 -77.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.255 -0.903 . . . . 0.0 109.473 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.446 ' O ' ' ND2' ' A' ' 96' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.47 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.6 m120 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 3' ' ' SER . 19.4 mm 57.95 -114.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 121.262 -0.899 . . . . 0.0 109.421 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.403 ' N ' HG22 ' A' ' 2' ' ' ILE . 4.8 t 61.71 45.15 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.21 -0.931 . . . . 0.0 109.42 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.63 -6.78 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.214 -0.929 . . . . 0.0 109.384 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.493 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 9.7 m-70 -150.18 10.09 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.304 -0.873 . . . . 0.0 109.418 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -79.6 14.55 1.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.242 -0.911 . . . . 0.0 109.409 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m 52.63 -153.11 0.24 Allowed 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.51 -0.744 . . . . 0.0 109.848 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 8' ' ' VAL . 18.1 t -120.38 38.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.33 -0.856 . . . . 0.0 109.24 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.53 51.35 1.52 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.257 -0.902 . . . . 0.0 109.203 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.671 ' HZ1' ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -80.91 -121.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.161 -0.962 . . . . 0.0 109.725 -179.788 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -135.64 122.79 21.59 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.087 -1.008 . . . . 0.0 110.01 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 23.5 t -151.5 135.43 9.58 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 18.0 Cg_endo -88.03 -171.53 0.67 Allowed 'Trans proline' 0 N--CA 1.482 0.834 0 C-N-CA 124.542 3.495 . . . . 0.0 111.309 -179.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -76.25 175.65 8.84 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.684 ' HA ' HD12 ' A' ' 31' ' ' LEU . 4.1 m-20 55.62 21.13 4.3 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.197 -0.939 . . . . 0.0 108.941 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.91 146.9 26.59 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.457 -0.777 . . . . 0.0 109.164 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.28 169.24 12.85 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 t -92.16 145.65 24.34 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.219 -1.165 . . . . 0.0 110.031 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 2.7 t80 -155.51 118.21 4.25 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.379 -0.826 . . . . 0.0 108.803 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.493 ' HE ' ' HA ' ' A' ' 5' ' ' HIS . 16.4 ptp180 -83.52 14.84 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.182 -0.949 . . . . 0.0 109.721 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.51 151.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.641 0.734 . . . . 0.0 110.116 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.913 ' H ' HD12 ' A' ' 22' ' ' LEU . 2.1 mp -80.34 3.14 22.09 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.134 -0.979 . . . . 0.0 108.609 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.96 24.56 11.94 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.459 -0.775 . . . . 0.0 109.739 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.1 58.26 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.096 -1.003 . . . . 0.0 109.551 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.05 113.84 11.11 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.193 -0.942 . . . . 0.0 109.215 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.39 123.34 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.173 -0.954 . . . . 0.0 109.283 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -154.9 159.21 40.3 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.12 -0.987 . . . . 0.0 109.912 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.671 ' N ' ' HZ1' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -119.15 105.93 11.87 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 2.1 ttmm -82.44 177.68 8.62 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.411 -0.806 . . . . 0.0 110.066 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.475 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 21.7 m -94.93 167.68 11.26 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.228 -0.92 . . . . 0.0 109.147 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 15' ' ' ASN . 12.3 mt -84.27 -172.36 4.12 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.159 -0.963 . . . . 0.0 109.36 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 88' ' ' ASP . 0.9 OUTLIER -69.56 155.56 40.29 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.176 -0.952 . . . . 0.0 109.164 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 61.54 13.24 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.258 -0.901 . . . . 0.0 109.287 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 15' ' ' ASN . 12.1 m-85 -128.28 116.27 19.59 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.392 -0.817 . . . . 0.0 109.243 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HG3' HG23 ' A' ' 42' ' ' VAL . 1.1 ptpt -99.11 -169.97 1.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.286 -0.884 . . . . 0.0 109.307 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.0 150.79 26.12 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.719 -0.613 . . . . 0.0 109.394 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.31 113.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.231 -0.918 . . . . 0.0 109.508 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.54 -94.98 0.24 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -140.1 2.63 1.93 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.249 -1.148 . . . . 0.0 109.428 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -131.9 139.46 48.77 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.9 m -69.69 135.91 50.42 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.191 -0.943 . . . . 0.0 109.296 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.569 HG23 ' HG3' ' A' ' 35' ' ' LYS . 27.6 m -109.13 179.31 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 121.313 -0.867 . . . . 0.0 109.536 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.37 120.62 25.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.278 -0.889 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.471 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.8 t-20 -76.14 128.88 81.95 Favored Pre-proline 0 CA--C 1.536 0.423 0 O-C-N 121.333 -0.854 . . . . 0.0 109.399 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.2 Cg_endo -90.53 -16.21 1.67 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.843 3.695 . . . . 0.0 110.121 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.25 58.17 1.47 Allowed Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 121.349 -0.844 . . . . 0.0 109.511 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -38.37 125.9 0.92 Allowed 'Trans proline' 0 N--CA 1.483 0.871 1 C-N-CA 125.383 4.055 . . . . 0.0 110.367 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.6 t -126.41 -167.38 1.71 Allowed 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.133 -0.979 . . . . 0.0 109.317 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -109.94 -27.22 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.289 -0.882 . . . . 0.0 108.839 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -69.7 0.74 5.07 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.405 -0.809 . . . . 0.0 108.85 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -98.75 51.98 0.98 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.72 72.14 0.18 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.263 0.554 . . . . 0.0 110.491 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 4.6 t30 59.96 85.24 0.11 Allowed 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.393 -0.817 . . . . 0.0 109.131 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.26 43.8 2.66 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 107.905 -2.078 . . . . 0.0 107.905 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.441 ' HA2' HG22 ' A' ' 90' ' ' ILE . . . 129.12 -18.78 5.52 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 107.84 -2.104 . . . . 0.0 107.84 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASP . 33.3 m -111.22 112.04 23.54 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.524 -0.986 . . . . 0.0 109.149 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 18.0 t0 -30.11 141.39 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.383 0.611 . . . . 0.0 112.003 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.81 -28.75 51.65 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.799 ' HB2' HD21 ' A' ' 22' ' ' LEU . 1.3 t0 -91.68 -15.78 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.406 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -86.14 159.38 19.53 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 121.358 -0.839 . . . . 0.0 109.585 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -88.2 156.84 19.01 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.337 -0.852 . . . . 0.0 109.334 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.4 t -126.85 141.54 51.79 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.173 -0.954 . . . . 0.0 109.429 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.03 139.93 47.47 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.266 -0.896 . . . . 0.0 109.436 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -130.81 16.08 5.27 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.335 -0.853 . . . . 0.0 109.461 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.65 157.1 2.35 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.462 -0.773 . . . . 0.0 109.56 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 t70 55.89 178.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.333 -0.855 . . . . 0.0 109.818 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 t 174.21 -79.95 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.222 -0.924 . . . . 0.0 109.355 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 144.8 -115.29 0.84 Allowed Glycine 0 CA--C 1.529 0.908 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 t -128.75 -46.49 1.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.264 -1.139 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.37 18.99 2.93 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.173 -0.955 . . . . 0.0 109.474 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.65 82.76 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -55.36 142.26 32.93 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.227 -1.16 . . . . 0.0 109.382 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -101.61 122.32 43.64 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.168 -0.957 . . . . 0.0 109.552 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 74' ' ' ILE . 0.9 OUTLIER -116.17 143.77 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 121.368 -0.833 . . . . 0.0 109.005 179.85 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.88 151.62 38.16 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.185 -0.947 . . . . 0.0 109.609 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.2 m -128.13 145.07 51.13 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.303 -0.873 . . . . 0.0 109.368 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.82 113.38 5.33 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.375 -0.828 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -81.39 126.32 31.48 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.234 -0.916 . . . . 0.0 109.28 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.75 -18.55 32.71 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.236 -0.915 . . . . 0.0 109.491 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -55.07 168.58 0.51 Allowed Pre-proline 0 C--N 1.329 -0.291 0 O-C-N 121.244 -0.91 . . . . 0.0 109.34 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.401 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 13.1 Cg_endo -88.03 -42.99 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 125.191 3.928 . . . . 0.0 110.157 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.401 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 32.1 m-20 -82.23 20.49 1.04 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.22 -0.925 . . . . 0.0 109.009 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 55.9 p -53.77 101.46 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 121.526 -0.734 . . . . 0.0 109.532 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -133.44 68.28 76.66 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 121.329 -0.857 . . . . 0.0 109.073 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -30.68 116.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.481 0.771 1 C-N-CA 126.367 4.711 . . . . 0.0 111.158 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.1 mt -77.33 -8.44 57.66 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -144.71 -109.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -108.98 17.08 22.11 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 121.62 -0.675 . . . . 0.0 109.728 179.577 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.3 -8.22 15.86 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 119.663 -1.256 . . . . 0.0 110.287 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.811 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.9 pt -59.94 -22.69 24.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 O-C-N 120.91 -1.347 . . . . 0.0 109.495 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.811 ' CE2' HD12 ' A' ' 90' ' ' ILE . 33.1 m-85 -140.84 107.24 5.27 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.115 -0.991 . . . . 0.0 109.659 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.6 m -105.34 128.07 53.29 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.243 -0.91 . . . . 0.0 109.288 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.04 122.06 10.1 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.2 -0.938 . . . . 0.0 109.439 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.9 p -92.02 -111.68 0.09 Allowed 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.221 -0.924 . . . . 0.0 109.445 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.87 -174.83 3.89 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.213 -0.929 . . . . 0.0 109.48 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.075 -0.964 . . . . 0.0 109.399 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.6 m120 . . . . . 0 CA--C 1.531 0.213 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.4 mm -62.3 -36.57 75.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.212 -0.93 . . . . 0.0 109.392 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.06 20.42 12.06 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.263 -0.898 . . . . 0.0 109.475 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -104.19 -50.7 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.289 -0.882 . . . . 0.0 109.412 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.486 ' HB2' HD11 ' A' ' 86' ' ' LEU . 0.7 OUTLIER -91.62 -16.47 27.02 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.312 -0.868 . . . . 0.0 109.381 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -76.95 -161.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 171.1 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.284 -0.885 . . . . 0.0 109.264 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 t -103.55 93.7 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 121.176 -0.952 . . . . 0.0 109.56 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.36 77.89 0.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.37 -0.831 . . . . 0.0 109.403 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.533 ' HZ1' ' CB ' ' A' ' 28' ' ' CYS . 4.3 tttp -149.33 -50.95 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.254 -0.904 . . . . 0.0 109.437 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 56.34 -176.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.191 -0.943 . . . . 0.0 109.173 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 178.98 162.68 0.71 Allowed Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 121.057 -1.027 . . . . 0.0 109.484 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -37.42 167.74 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 1 C-N-CA 126.331 4.688 . . . . 0.0 111.923 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -83.14 177.8 8.4 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.198 -0.938 . . . . 0.0 108.906 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.695 ' HA ' HD12 ' A' ' 31' ' ' LEU . 13.9 m120 56.11 22.4 5.95 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 121.06 -1.025 . . . . 0.0 108.577 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.405 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 28.4 p -153.94 131.1 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.87 166.47 16.68 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 t -78.57 164.43 24.68 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.436 -1.038 . . . . 0.0 109.539 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 6.1 t80 -170.29 105.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.263 -0.898 . . . . 0.0 109.069 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 38.1 ttp85 -105.9 77.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.17 -0.956 . . . . 0.0 109.339 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 88.3 m-70 -155.41 -178.75 7.49 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.418 -0.801 . . . . 0.0 109.911 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.4 mt 70.9 -46.07 0.63 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.068 0.461 . . . . 0.0 110.222 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -117.76 13.26 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.161 -0.962 . . . . 0.0 108.646 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 53.62 22.87 3.26 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.24 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -127.96 154.52 45.48 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.349 -0.845 . . . . 0.0 109.6 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.18 127.66 33.38 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.37 -0.831 . . . . 0.0 109.66 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -140.24 179.17 6.8 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.316 -0.865 . . . . 0.0 109.38 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.533 ' CB ' ' HZ1' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -135.59 109.65 8.25 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.297 -0.877 . . . . 0.0 109.19 179.813 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 9.1 tttt -97.7 161.66 13.65 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.273 -0.892 . . . . 0.0 108.825 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -76.73 158.64 30.81 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 120.96 -1.088 . . . . 0.0 109.85 -179.664 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 15' ' ' ASN . 43.3 mt -73.42 -164.89 0.22 Allowed 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.424 -0.798 . . . . 0.0 109.86 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.76 153.23 41.22 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.415 -0.803 . . . . 0.0 109.508 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 61.95 11.73 4.39 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.282 -0.886 . . . . 0.0 109.411 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.446 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 11.9 m-85 -123.17 120.11 32.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.48 -0.763 . . . . 0.0 108.965 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -103.27 -174.27 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.13 -0.981 . . . . 0.0 109.589 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.81 146.68 28.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.482 -0.761 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -151.02 78.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.262 -0.899 . . . . 0.0 109.435 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.71 -102.23 2.55 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -122.98 7.91 9.28 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.207 -1.172 . . . . 0.0 109.328 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -139.56 129.57 25.0 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.209 -0.932 . . . . 0.0 109.461 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.2 m -72.74 145.64 46.98 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.259 -0.901 . . . . 0.0 109.245 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 m -120.79 179.93 2.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 O-C-N 121.135 -0.978 . . . . 0.0 109.556 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.55 121.14 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.287 -0.883 . . . . 0.0 109.46 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -86.82 122.08 71.58 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 121.338 -0.851 . . . . 0.0 109.326 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -90.58 -16.98 1.49 Allowed 'Trans proline' 0 N--CA 1.479 0.62 0 C-N-CA 124.713 3.609 . . . . 0.0 110.277 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.01 87.29 6.24 Favored Pre-proline 0 CA--C 1.532 0.276 0 O-C-N 121.239 -0.913 . . . . 0.0 109.408 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -90.98 151.15 3.89 Favored 'Trans proline' 0 N--CA 1.476 0.495 1 C-N-CA 125.504 4.136 . . . . 0.0 110.329 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.772 HG22 ' HG3' ' A' ' 51' ' ' GLU . 9.5 t -144.77 -129.09 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.191 -0.943 . . . . 0.0 109.51 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.635 ' N ' HG23 ' A' ' 48' ' ' THR . 3.2 m -137.02 -36.6 0.67 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.27 -1.77 6.91 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.772 ' HG3' HG22 ' A' ' 48' ' ' THR . 5.1 mm-40 -90.96 50.72 1.83 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.92 70.11 0.31 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.149 0.499 . . . . 0.0 110.152 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 5.2 t-20 60.75 81.26 0.19 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.91 45.69 3.51 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.498 ' HA2' HG22 ' A' ' 90' ' ' ILE . . . 121.83 -15.01 9.04 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 108.206 -1.958 . . . . 0.0 108.206 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ASP . 26.5 m -110.84 110.05 20.5 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.431 -1.041 . . . . 0.0 108.79 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.457 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 17.2 t0 -27.73 138.08 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 121.361 0.6 . . . . 0.0 111.888 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.53 -30.2 40.5 Favored 'General case' 0 CA--C 1.528 0.126 0 O-C-N 121.477 -0.765 . . . . 0.0 109.042 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -90.23 -15.84 30.57 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.494 -0.754 . . . . 0.0 109.043 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -86.58 166.12 15.66 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.303 -0.873 . . . . 0.0 109.462 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -91.09 169.0 11.23 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.401 -0.812 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 51.3 t -136.69 144.52 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.288 -0.883 . . . . 0.0 109.381 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.61 140.11 48.07 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.192 -0.942 . . . . 0.0 109.308 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.13 -6.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.341 -0.85 . . . . 0.0 109.48 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -82.68 60.64 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.284 -0.885 . . . . 0.0 109.319 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -157.68 -139.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.288 -0.882 . . . . 0.0 109.41 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.17 149.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.242 -0.911 . . . . 0.0 109.595 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.54 -37.83 0.02 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -174.25 2.48 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.283 -1.128 . . . . 0.0 109.341 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.16 -47.19 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.167 -0.958 . . . . 0.0 109.47 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.82 -100.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.921 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.528 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -99.88 156.48 17.11 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.231 -1.158 . . . . 0.0 109.472 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -129.35 107.31 9.42 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.344 -0.848 . . . . 0.0 109.456 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.435 HD11 ' HA ' ' A' ' 48' ' ' THR . 0.4 OUTLIER -144.91 148.59 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 121.277 -0.889 . . . . 0.0 109.536 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 m -137.17 163.61 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.297 -0.877 . . . . 0.0 109.397 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.7 m -131.84 138.31 48.44 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.265 -0.897 . . . . 0.0 109.529 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -135.47 98.43 3.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.333 -0.854 . . . . 0.0 109.324 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.29 83.68 1.9 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.228 -0.92 . . . . 0.0 109.605 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 t -81.36 39.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.222 -0.924 . . . . 0.0 109.08 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 7.8 mttt -106.44 175.85 1.91 Allowed Pre-proline 0 C--N 1.329 -0.302 0 O-C-N 121.416 -0.803 . . . . 0.0 109.318 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 11.3 Cg_endo -87.43 138.42 4.62 Favored 'Trans proline' 0 N--CA 1.476 0.475 0 C-N-CA 125.239 3.959 . . . . 0.0 109.805 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.07 5.36 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.338 -0.851 . . . . 0.0 109.306 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.7 p -65.22 110.53 2.6 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.288 -0.882 . . . . 0.0 109.331 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -131.5 79.9 68.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.283 -0.885 . . . . 0.0 109.539 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -30.8 112.23 0.04 OUTLIER 'Trans proline' 0 N--CA 1.482 0.824 1 C-N-CA 125.978 4.452 . . . . 0.0 111.221 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 5' ' ' HIS . 14.0 mt -73.03 -34.77 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CD2' HD11 ' A' ' 90' ' ' ILE . 57.9 m-85 -113.67 -105.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.02 23.9 12.15 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.615 -0.678 . . . . 0.0 109.909 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 114.97 -14.28 19.4 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 119.64 -1.267 . . . . 0.0 110.432 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.847 HD12 ' CE2' ' A' ' 91' ' ' PHE . 9.6 pt -56.87 -28.22 27.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 O-C-N 120.905 -1.35 . . . . 0.0 109.275 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.847 ' CE2' HD12 ' A' ' 90' ' ' ILE . 26.3 m-85 -136.39 104.64 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.258 -0.901 . . . . 0.0 109.513 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.1 m -113.62 96.8 6.06 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.181 -0.949 . . . . 0.0 109.36 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.46 164.91 26.86 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.196 -0.94 . . . . 0.0 109.365 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -161.92 -87.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.22 -0.925 . . . . 0.0 109.391 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.7 p -132.49 -149.09 0.36 Allowed 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.225 -0.922 . . . . 0.0 109.5 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.477 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.0 t30 . . . . . 0 CA--C 1.531 0.214 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -142.78 147.48 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 O-C-N 121.226 -0.921 . . . . 0.0 109.373 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.76 -6.72 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.24 -0.912 . . . . 0.0 109.49 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -138.99 -178.61 5.41 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.243 -0.911 . . . . 0.0 109.419 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -80.59 56.45 2.62 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.273 -0.892 . . . . 0.0 109.517 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -103.91 -5.32 22.41 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.256 -0.902 . . . . 0.0 109.385 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 65.54 149.98 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.235 -0.916 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.58 HG12 ' N ' ' A' ' 9' ' ' LYS . 79.8 t -57.4 -96.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 O-C-N 121.359 -0.838 . . . . 0.0 109.675 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.58 ' N ' HG12 ' A' ' 8' ' ' VAL . 2.6 tttm -124.83 -75.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.222 -0.924 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.527 ' HZ1' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER 71.56 -45.4 0.62 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.77 -0.581 . . . . 0.0 109.81 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.48 56.8 1.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.008 -1.058 . . . . 0.0 109.533 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m -66.29 174.35 1.78 Allowed Pre-proline 0 CA--C 1.532 0.286 0 O-C-N 121.267 -0.896 . . . . 0.0 109.022 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -87.27 -178.24 2.38 Favored 'Trans proline' 0 N--CA 1.478 0.594 0 C-N-CA 125.247 3.964 . . . . 0.0 110.477 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.08 174.51 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.284 -0.885 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.413 ' HA ' HD12 ' A' ' 31' ' ' LEU . 58.4 m-20 56.41 19.74 4.26 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.205 -0.934 . . . . 0.0 109.284 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 1.9 p -156.0 136.31 13.05 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.326 -0.859 . . . . 0.0 109.346 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.23 161.8 12.84 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.92 139.31 39.21 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.376 -1.073 . . . . 0.0 109.32 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.503 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 43.6 t80 -143.75 131.99 21.95 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.155 -0.965 . . . . 0.0 109.542 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -83.89 116.04 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.253 -0.904 . . . . 0.0 109.093 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.02 139.87 33.21 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.349 -0.844 . . . . 0.0 109.556 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.944 ' H ' HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -65.69 -8.33 20.25 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.291 -0.881 . . . . 0.0 109.012 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.11 30.35 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.379 -0.826 . . . . 0.0 109.391 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 63.25 39.11 9.9 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.221 -0.924 . . . . 0.0 109.56 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -127.74 177.66 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.248 -0.907 . . . . 0.0 109.374 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -132.52 136.9 46.94 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.205 -0.935 . . . . 0.0 109.568 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.527 ' N ' ' HZ1' ' A' ' 10' ' ' LYS . 2.3 mt-10 -162.3 159.56 25.66 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.299 -0.876 . . . . 0.0 109.298 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.7 m -105.27 120.24 41.06 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.242 -0.911 . . . . 0.0 109.256 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 136.74 43.44 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.167 -0.958 . . . . 0.0 109.099 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 3.3 m -55.14 155.07 5.03 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.218 -0.926 . . . . 0.0 109.63 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 15' ' ' ASN . 35.3 mt -68.26 -166.01 0.06 Allowed 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.254 -0.904 . . . . 0.0 109.832 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.514 ' CD1' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -72.95 158.69 34.99 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.341 -0.849 . . . . 0.0 109.594 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 57.23 17.55 3.68 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.294 -0.879 . . . . 0.0 109.399 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 21.8 m-85 -130.22 119.06 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.36 -0.838 . . . . 0.0 109.509 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -98.52 -173.51 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.185 -0.947 . . . . 0.0 109.164 179.438 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -119.54 134.55 55.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.548 -0.72 . . . . 0.0 109.575 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -136.03 75.26 1.54 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.327 -0.858 . . . . 0.0 109.34 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.02 -89.71 1.22 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.1 3.76 2.21 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.223 -1.163 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.94 118.54 21.81 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.353 -0.842 . . . . 0.0 109.122 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.6 m -69.85 147.43 50.35 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.151 -0.968 . . . . 0.0 109.449 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.4 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 33.3 m -125.73 179.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 O-C-N 121.268 -0.895 . . . . 0.0 109.26 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.68 138.61 41.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.215 -0.928 . . . . 0.0 109.524 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -115.18 120.46 36.73 Favored Pre-proline 0 CA--C 1.536 0.43 0 O-C-N 121.301 -0.874 . . . . 0.0 109.343 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -90.38 -17.12 1.55 Allowed 'Trans proline' 0 N--CA 1.478 0.562 0 C-N-CA 124.709 3.606 . . . . 0.0 110.222 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.29 85.15 39.4 Favored Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.242 -0.911 . . . . 0.0 109.323 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -90.3 142.37 3.62 Favored 'Trans proline' 0 N--CA 1.477 0.529 1 C-N-CA 125.523 4.149 . . . . 0.0 110.41 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 t -137.7 -165.32 1.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.252 -0.905 . . . . 0.0 109.263 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.79 -27.33 8.54 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.261 -0.9 . . . . 0.0 108.794 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -69.95 0.48 5.86 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -97.86 51.36 1.05 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p30 41.95 71.96 0.19 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.214 0.53 . . . . 0.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 6.5 t-20 60.32 84.64 0.12 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.726 0.774 . . . . 0.0 109.189 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.94 42.18 2.97 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.598 ' HA2' HG22 ' A' ' 90' ' ' ILE . . . 126.95 -17.0 6.38 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 107.846 -2.102 . . . . 0.0 107.846 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ASP . 24.5 m -110.74 112.62 24.62 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.507 -0.996 . . . . 0.0 108.612 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 6.5 t0 -29.29 140.14 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.209 0.528 . . . . 0.0 111.765 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.38 -30.5 40.16 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -93.8 -14.63 25.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' H ' ' HB3' ' A' ' 57' ' ' ASP . . . -79.58 174.36 11.66 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.269 -0.895 . . . . 0.0 109.357 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.64 156.8 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 25.0 t -128.75 143.07 50.83 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.078 -1.014 . . . . 0.0 109.732 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.36 141.56 45.58 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.34 -0.85 . . . . 0.0 109.391 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.01 14.55 4.26 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -53.64 138.36 34.95 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.403 -0.811 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -54.3 168.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.336 -0.853 . . . . 0.0 109.537 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 t -172.38 -24.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.343 -0.848 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' A' ' 69' ' ' SER . . . -159.91 -11.72 0.04 OUTLIER Glycine 0 CA--C 1.529 0.929 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.407 ' H ' ' H ' ' A' ' 68' ' ' GLY . 0.7 OUTLIER 61.05 -162.55 0.27 Allowed 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.265 -1.138 . . . . 0.0 109.53 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 55.35 48.56 18.86 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.302 -0.874 . . . . 0.0 109.439 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.94 112.42 1.76 Allowed Glycine 0 CA--C 1.529 0.937 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -54.96 103.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.237 -1.155 . . . . 0.0 109.371 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -76.92 118.61 19.68 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.305 -0.872 . . . . 0.0 109.531 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 74' ' ' ILE . 3.1 mm -113.89 112.78 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 O-C-N 121.236 -0.915 . . . . 0.0 109.274 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.59 163.14 12.39 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.223 -0.923 . . . . 0.0 109.53 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 56.4 m -137.12 126.38 24.73 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.258 -0.901 . . . . 0.0 109.568 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -122.61 96.45 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.286 -0.884 . . . . 0.0 108.796 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 95.3 m -53.05 116.1 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.392 -0.818 . . . . 0.0 110.269 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.452 HG22 ' H ' ' A' ' 79' ' ' THR . 1.5 t -78.91 6.71 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.419 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -58.49 177.25 0.24 Allowed Pre-proline 0 C--N 1.332 -0.18 0 O-C-N 121.541 -0.725 . . . . 0.0 109.222 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 9.8 Cg_endo -84.45 -85.75 0.0 OUTLIER 'Trans proline' 0 N--CA 1.476 0.443 0 C-N-CA 124.9 3.733 . . . . 0.0 109.842 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.89 -27.17 60.3 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 42.88 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.099 0.476 . . . . 0.0 110.965 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -129.21 70.98 82.02 Favored Pre-proline 0 C--N 1.332 -0.19 0 O-C-N 120.828 -1.17 . . . . 0.0 110.2 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -37.05 113.36 0.11 Allowed 'Trans proline' 0 N--CA 1.481 0.759 1 C-N-CA 125.486 4.124 . . . . 0.0 110.044 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.645 HD12 ' HB2' ' A' ' 91' ' ' PHE . 37.0 mt -67.05 -59.11 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.14 -0.975 . . . . 0.0 108.467 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.61 ' CD2' HD11 ' A' ' 90' ' ' ILE . 84.2 m-85 -92.94 -102.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.75 21.02 12.16 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.167 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.17 -20.06 6.33 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 119.577 -1.297 . . . . 0.0 110.7 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.61 HD11 ' CD2' ' A' ' 87' ' ' PHE . 5.7 pt -55.47 -37.99 47.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 O-C-N 120.938 -1.331 . . . . 0.0 109.491 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.645 ' HB2' HD12 ' A' ' 86' ' ' LEU . 9.9 m-85 -132.2 133.94 44.77 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.205 -0.934 . . . . 0.0 109.216 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.38 152.95 25.63 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.145 -0.972 . . . . 0.0 109.141 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.46 176.54 6.11 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.197 -0.939 . . . . 0.0 109.734 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.1 p -163.53 176.54 9.62 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.336 -0.853 . . . . 0.0 109.176 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.4 p -160.73 143.47 12.94 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.162 -0.961 . . . . 0.0 109.465 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.36 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 mm -117.29 70.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 121.211 -0.93 . . . . 0.0 109.427 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -154.42 104.6 2.59 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.171 -0.955 . . . . 0.0 109.527 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -84.46 -61.81 1.71 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.226 -0.921 . . . . 0.0 109.394 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 6' ' ' GLN . 4.7 p-80 -54.99 -32.83 62.05 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.268 -0.895 . . . . 0.0 109.237 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.403 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 0.5 OUTLIER 59.48 68.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.313 -0.867 . . . . 0.0 109.822 179.733 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.17 120.69 11.4 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.131 -0.981 . . . . 0.0 108.898 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 8' ' ' VAL . 2.6 m -80.7 -44.03 21.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 O-C-N 121.196 -0.94 . . . . 0.0 109.969 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -165.78 100.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.128 -0.983 . . . . 0.0 109.288 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.85 138.91 25.96 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.314 -0.867 . . . . 0.0 109.641 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.28 -90.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.247 -0.908 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.5 t 66.54 122.17 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.644 0 O-C-N 121.492 -0.755 . . . . 0.0 109.136 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -89.73 178.6 2.33 Favored 'Trans proline' 0 N--CA 1.483 0.871 0 C-N-CA 124.68 3.587 . . . . 0.0 111.592 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -59.62 -179.33 0.09 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.486 -0.759 . . . . 0.0 109.354 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 55.02 25.49 6.99 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.406 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 2.2 t 177.6 142.36 0.09 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.533 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -120.01 174.08 15.45 Favored Glycine 0 CA--C 1.533 1.194 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.15 168.3 13.37 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.14 -1.212 . . . . 0.0 109.747 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -162.21 122.27 2.46 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.307 -0.871 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -70.62 115.29 9.61 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.298 -0.876 . . . . 0.0 109.367 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.422 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.78 139.63 38.88 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.279 -0.888 . . . . 0.0 109.467 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.66 ' H ' HD12 ' A' ' 22' ' ' LEU . 6.6 mp -64.05 -8.34 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.294 -0.879 . . . . 0.0 109.235 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.22 36.17 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.276 -0.89 . . . . 0.0 109.399 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 57.68 41.47 25.3 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.243 -0.911 . . . . 0.0 109.496 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -131.3 178.24 6.86 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.255 -0.903 . . . . 0.0 109.388 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -132.56 131.2 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.242 -0.911 . . . . 0.0 109.52 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 2.7 mt-10 -146.33 159.17 43.71 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.332 -0.855 . . . . 0.0 109.31 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.65 110.13 22.08 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.21 -0.931 . . . . 0.0 108.872 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.736 ' HD3' HD22 ' A' ' 53' ' ' ASN . 7.6 ttmt -100.08 161.87 13.33 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 121.307 -0.871 . . . . 0.0 109.324 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.8 m -90.27 176.69 6.65 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 120.973 -1.079 . . . . 0.0 110.096 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.8 mt -79.67 -164.94 0.72 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.339 -0.851 . . . . 0.0 109.933 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.714 HD21 ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -73.45 150.57 41.56 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.36 -0.838 . . . . 0.0 109.977 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 53.86 21.42 2.77 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.404 -0.81 . . . . 0.0 110.033 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -117.09 163.6 16.01 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.154 -0.966 . . . . 0.0 109.302 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -131.08 179.74 5.82 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.465 -0.772 . . . . 0.0 109.229 -179.724 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -112.47 127.94 56.19 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.321 -0.862 . . . . 0.0 109.43 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -123.61 94.56 4.28 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.251 -0.905 . . . . 0.0 109.531 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.5 -95.42 0.38 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -127.5 13.75 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.215 -1.168 . . . . 0.0 109.474 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.18 116.8 9.73 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.285 -0.884 . . . . 0.0 109.607 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 95.1 m -70.55 152.65 43.73 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.171 -0.955 . . . . 0.0 109.113 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.461 HG22 ' HG3' ' A' ' 35' ' ' LYS . 22.3 m -133.34 -178.73 2.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 O-C-N 121.109 -0.994 . . . . 0.0 110.019 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.06 126.19 29.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.379 -0.826 . . . . 0.0 109.434 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.486 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 56.7 t30 -104.46 131.82 21.52 Favored Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 121.247 -0.908 . . . . 0.0 109.39 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.8 Cg_endo -92.56 -15.06 1.17 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 124.763 3.642 . . . . 0.0 110.052 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.406 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 17.4 t30 -137.29 93.59 12.85 Favored Pre-proline 0 CA--C 1.534 0.347 0 O-C-N 121.35 -0.844 . . . . 0.0 110.029 -179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -91.3 178.93 1.68 Allowed 'Trans proline' 0 N--CA 1.478 0.569 1 C-N-CA 125.429 4.086 . . . . 0.0 109.874 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.821 HG21 ' HG3' ' A' ' 51' ' ' GLU . 14.9 t -162.73 -147.23 0.12 Allowed 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.019 -1.051 . . . . 0.0 109.992 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.582 ' N ' HG23 ' A' ' 48' ' ' THR . 76.9 m -149.37 -45.22 0.14 Allowed 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -68.79 4.71 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.551 -0.718 . . . . 0.0 110.116 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.821 ' HG3' HG21 ' A' ' 48' ' ' THR . 75.5 mt-10 -107.08 62.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.051 -1.031 . . . . 0.0 108.837 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.41 73.03 0.13 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.143 0.497 . . . . 0.0 110.053 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.736 HD22 ' HD3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 65.41 96.15 0.05 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 122.618 1.199 . . . . 0.0 108.598 -179.554 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.59 21.67 31.47 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 107.885 -2.086 . . . . 0.0 107.885 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.679 ' O ' HG22 ' A' ' 90' ' ' ILE . . . 136.61 -8.07 3.95 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 108.211 -1.956 . . . . 0.0 108.211 -178.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 73.1 m -111.66 138.72 47.86 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.339 -1.095 . . . . 0.0 109.147 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.735 ' HB3' ' HB2' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -40.57 144.86 0.21 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.104 0.478 . . . . 0.0 110.393 -179.261 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.32 -35.38 37.75 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.537 -0.727 . . . . 0.0 109.886 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.459 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -97.2 5.25 50.42 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.235 -0.916 . . . . 0.0 109.672 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.735 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . . . -88.59 140.54 29.35 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.093 -1.004 . . . . 0.0 109.691 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -70.24 103.35 2.34 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.261 -0.899 . . . . 0.0 109.046 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.9 t -85.73 142.0 29.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.422 -0.799 . . . . 0.0 109.234 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.69 143.1 43.21 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.141 -0.975 . . . . 0.0 109.794 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -143.43 8.86 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.343 -0.848 . . . . 0.0 109.426 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' HG3' ' H ' ' A' ' 65' ' ' GLU . 4.4 mt-10 -62.01 -177.92 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.229 -0.919 . . . . 0.0 109.701 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.0 t0 53.89 -129.8 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.456 -0.778 . . . . 0.0 109.658 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m 65.57 -179.38 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.16 -0.963 . . . . 0.0 109.425 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.46 -77.95 1.34 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.7 m -59.97 -173.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.325 -1.103 . . . . 0.0 109.557 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -41.21 70.67 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.23 -0.918 . . . . 0.0 109.434 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -115.38 -117.21 3.11 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.24 155.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.422 -1.046 . . . . 0.0 109.688 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.33 117.93 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.453 -0.779 . . . . 0.0 109.962 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.404 ' HA ' HD13 ' A' ' 74' ' ' ILE . 17.0 mm -136.01 149.47 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 121.054 -1.029 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.49 142.36 43.53 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.257 -0.902 . . . . 0.0 109.409 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.714 ' SG ' HD21 ' A' ' 32' ' ' LEU . 57.6 m -117.23 115.04 24.52 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.243 -0.911 . . . . 0.0 109.263 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -123.95 94.17 4.15 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.107 -0.995 . . . . 0.0 109.442 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.38 96.54 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.19 -0.944 . . . . 0.0 109.053 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 79' ' ' THR . 14.2 t -84.99 42.16 0.91 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.256 -0.902 . . . . 0.0 109.817 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -111.25 170.94 4.74 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 121.082 -1.011 . . . . 0.0 109.305 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -86.29 -53.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.578 0 C-N-CA 125.169 3.912 . . . . 0.0 109.78 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -81.1 15.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.356 -0.84 . . . . 0.0 108.791 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.05 115.36 6.02 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.458 -0.776 . . . . 0.0 109.45 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -138.65 70.97 44.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 121.257 -0.902 . . . . 0.0 109.161 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -31.33 120.29 0.08 OUTLIER 'Trans proline' 0 N--CA 1.48 0.713 1 C-N-CA 126.167 4.578 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.3 mt -82.58 -30.6 29.47 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.453 ' CB ' HD11 ' A' ' 90' ' ' ILE . 7.7 m-85 -110.72 -101.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.51 25.96 6.41 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.229 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.66 23.65 5.28 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 119.503 -1.332 . . . . 0.0 110.539 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.884 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -107.84 -14.92 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 O-C-N 120.953 -1.322 . . . . 0.0 109.315 179.581 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.884 ' CE2' HD12 ' A' ' 90' ' ' ILE . 20.3 m-85 -132.74 65.51 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.236 -0.915 . . . . 0.0 109.908 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 52.83 2.62 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.081 -1.012 . . . . 0.0 109.152 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 m -53.84 163.66 0.69 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.283 -0.886 . . . . 0.0 109.563 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.06 -75.41 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.3 -0.875 . . . . 0.0 109.359 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.0 p -124.87 -103.3 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.262 -0.899 . . . . 0.0 109.429 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.38 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.1 mm -107.83 134.74 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 O-C-N 121.306 -0.871 . . . . 0.0 109.442 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -104.19 -61.58 1.43 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.253 -0.904 . . . . 0.0 109.488 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.471 ' H ' ' HB2' ' A' ' 94' ' ' SER . 2.7 mm-40 -123.87 -171.81 2.4 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.18 -0.95 . . . . 0.0 109.437 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t60 55.62 92.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.325 -0.859 . . . . 0.0 109.466 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.439 ' H ' ' HB2' ' A' ' 20' ' ' ARG . 26.9 mt-30 -140.64 32.59 1.83 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.277 -0.889 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.2 p -56.78 139.24 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.267 -0.896 . . . . 0.0 109.364 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.86 147.19 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 O-C-N 121.264 -0.898 . . . . 0.0 109.52 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt 54.72 62.25 2.62 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.246 -0.909 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -128.68 -58.27 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.226 -0.921 . . . . 0.0 109.552 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 55.58 62.03 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.283 -0.885 . . . . 0.0 109.173 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 m -68.1 173.08 3.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.258 -0.901 . . . . 0.0 109.222 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -90.07 160.57 4.84 Favored 'Trans proline' 0 N--CA 1.478 0.599 1 C-N-CA 125.552 4.168 . . . . 0.0 110.438 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -54.83 172.23 0.11 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 121.284 -0.885 . . . . 0.0 109.373 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.718 ' HA ' HD12 ' A' ' 31' ' ' LEU . 4.6 m120 55.0 35.52 24.84 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.267 -0.895 . . . . 0.0 109.036 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -168.6 116.94 0.69 Allowed 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.319 -0.863 . . . . 0.0 109.562 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.97 155.51 22.0 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 155.48 22.85 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.207 -1.173 . . . . 0.0 109.61 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -160.58 132.08 5.79 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.298 -0.876 . . . . 0.0 109.427 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HB2' ' H ' ' A' ' 6' ' ' GLN . 10.8 ttt-85 -82.58 117.49 22.6 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.313 -0.867 . . . . 0.0 109.114 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.94 133.14 43.13 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.361 -0.837 . . . . 0.0 109.608 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' N ' HD22 ' A' ' 22' ' ' LEU . 4.5 mm? -59.12 -15.24 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.371 -0.831 . . . . 0.0 109.485 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.41 30.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.3 -0.875 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.76 37.65 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.229 -0.919 . . . . 0.0 109.66 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -127.83 177.89 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.193 -0.942 . . . . 0.0 109.225 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -135.41 136.82 41.7 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.212 -0.93 . . . . 0.0 109.596 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -160.76 161.01 31.99 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.213 -0.929 . . . . 0.0 109.589 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.8 m -112.04 119.3 37.98 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.326 -0.859 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -98.41 141.88 30.73 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.126 -0.984 . . . . 0.0 108.72 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 4.5 m -59.56 160.93 6.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 120.952 -1.093 . . . . 0.0 109.829 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 15' ' ' ASN . 6.5 mt -68.43 -168.1 0.11 Allowed 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.318 -0.864 . . . . 0.0 109.643 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.702 ' HG ' HG21 ' A' ' 90' ' ' ILE . 8.6 mt -72.97 155.61 39.67 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.316 -0.865 . . . . 0.0 109.53 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m120 56.9 18.14 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.31 -0.869 . . . . 0.0 109.441 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 12.3 m-85 -124.85 117.33 23.89 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.319 -0.863 . . . . 0.0 108.959 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -102.13 -173.06 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.078 -1.014 . . . . 0.0 109.619 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -108.92 146.58 33.55 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.55 -0.719 . . . . 0.0 109.442 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -156.58 69.34 0.61 Allowed 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.196 -0.94 . . . . 0.0 109.365 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.58 -103.35 2.23 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -126.82 2.13 6.68 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.236 -1.155 . . . . 0.0 109.4 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -133.62 134.48 43.28 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.288 -0.883 . . . . 0.0 109.375 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.4 m -73.44 139.19 45.67 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.139 -0.976 . . . . 0.0 109.376 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.1 m -114.24 -179.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 121.204 -0.935 . . . . 0.0 109.468 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.4 135.34 44.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.279 -0.888 . . . . 0.0 109.244 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -102.5 111.41 64.61 Favored Pre-proline 0 CA--C 1.534 0.334 0 O-C-N 121.257 -0.902 . . . . 0.0 109.602 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -87.87 -14.29 3.6 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 124.82 3.68 . . . . 0.0 109.76 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -146.19 82.53 9.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 121.495 -0.753 . . . . 0.0 109.125 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -89.01 159.31 5.87 Favored 'Trans proline' 0 N--CA 1.478 0.578 1 C-N-CA 125.467 4.112 . . . . 0.0 110.033 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.744 HG23 ' HG2' ' A' ' 51' ' ' GLU . 8.8 t -149.47 -172.83 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.157 -0.964 . . . . 0.0 109.886 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 62' ' ' CYS . 87.2 m -112.5 -31.26 6.85 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.42 -0.8 . . . . 0.0 108.887 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -58.98 -14.8 10.31 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.318 -0.863 . . . . 0.0 109.114 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.744 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.7 pt-20 -76.72 59.43 1.55 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 42.14 57.78 3.17 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.974 0.416 . . . . 0.0 111.566 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.515 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.5 OUTLIER 66.06 69.26 0.44 Allowed 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.16 -0.962 . . . . 0.0 109.547 178.599 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.97 -43.0 6.12 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.94 -20.55 67.63 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.515 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.62 160.33 17.33 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.171 -1.194 . . . . 0.0 110.372 -179.788 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.17 -91.73 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.566 -0.709 . . . . 0.0 109.747 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.68 -13.23 0.2 Allowed 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.269 -0.895 . . . . 0.0 109.344 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -126.16 -15.36 5.79 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.204 -0.935 . . . . 0.0 109.551 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.428 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . . . -71.52 176.65 4.55 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.217 -0.927 . . . . 0.0 109.495 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -103.21 122.9 45.7 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.221 -0.924 . . . . 0.0 109.509 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 49' ' ' CYS . 19.8 t -93.79 155.04 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.354 -0.841 . . . . 0.0 109.436 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.24 152.89 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.127 -0.983 . . . . 0.0 109.564 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -143.04 3.81 1.41 Allowed 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.19 -0.944 . . . . 0.0 109.524 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.4 177.0 4.85 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.29 -0.882 . . . . 0.0 109.534 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 64.8 143.06 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.359 -0.838 . . . . 0.0 109.996 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.99 163.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.229 -0.919 . . . . 0.0 109.474 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.89 148.54 0.36 Allowed Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.3 t -80.12 -47.78 14.23 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.247 -1.149 . . . . 0.0 109.473 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -105.23 -58.31 1.91 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.197 -0.939 . . . . 0.0 109.427 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -143.23 -112.65 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.8 176.91 0.05 Allowed 'General case' 0 CA--C 1.53 0.205 0 O-C-N 121.364 -1.08 . . . . 0.0 109.579 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.66 121.43 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.511 -0.743 . . . . 0.0 109.675 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.476 ' HA ' HD13 ' A' ' 74' ' ' ILE . 15.8 mm -131.34 107.56 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 121.074 -1.016 . . . . 0.0 109.712 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.78 150.96 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.342 -0.849 . . . . 0.0 108.951 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -135.68 154.22 51.35 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.209 -0.932 . . . . 0.0 109.988 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -152.18 105.69 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.1 m -74.76 123.33 24.77 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.243 -0.91 . . . . 0.0 109.67 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.7 t -85.48 24.56 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.293 -0.879 . . . . 0.0 109.152 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -87.93 168.51 16.59 Favored Pre-proline 0 C--N 1.329 -0.296 0 O-C-N 121.374 -0.829 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -83.51 128.28 4.66 Favored 'Trans proline' 0 N--CA 1.479 0.636 0 C-N-CA 124.881 3.721 . . . . 0.0 109.472 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 t0 72.63 -53.52 0.7 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.411 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER 62.16 152.15 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.652 0.739 . . . . 0.0 110.174 179.22 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' A' ' 94' ' ' SER . 59.3 m-85 -155.37 99.9 2.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 121.341 -0.85 . . . . 0.0 108.816 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -86.96 116.09 1.24 Allowed 'Trans proline' 0 N--CA 1.478 0.591 0 C-N-CA 125.128 3.885 . . . . 0.0 110.579 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.4 mt -78.73 -8.66 58.94 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.521 ' CE1' HD21 ' A' ' 31' ' ' LEU . 77.6 m-85 -144.55 -110.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.502 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -109.82 25.64 11.56 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 121.55 -0.718 . . . . 0.0 109.71 179.637 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.21 14.53 30.47 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 119.701 -1.238 . . . . 0.0 110.113 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.743 HD12 ' HE2' ' A' ' 91' ' ' PHE . 0.8 OUTLIER -94.45 8.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 O-C-N 121.047 -1.267 . . . . 0.0 109.304 179.801 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.743 ' HE2' HD12 ' A' ' 90' ' ' ILE . 92.0 m-85 -153.05 43.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.355 -0.84 . . . . 0.0 109.215 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.3 m -53.44 116.43 2.45 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.367 -0.833 . . . . 0.0 109.6 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 m -146.21 -112.43 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.325 -0.859 . . . . 0.0 109.428 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.471 ' HB2' ' H ' ' A' ' 4' ' ' GLN . 2.7 t -137.31 -37.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.225 -0.922 . . . . 0.0 109.545 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 m 59.25 -154.28 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.251 -0.906 . . . . 0.0 109.377 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.458 -179.966 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 mm -103.27 151.83 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 O-C-N 121.246 -0.909 . . . . 0.0 109.408 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -109.9 -107.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.289 -0.882 . . . . 0.0 109.495 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.42 -10.65 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.195 -0.941 . . . . 0.0 109.553 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -72.88 5.38 3.29 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.246 -0.909 . . . . 0.0 109.318 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 89.33 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.285 -0.884 . . . . 0.0 109.313 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.59 139.32 38.66 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.341 -0.85 . . . . 0.0 109.439 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.601 HG23 ' N ' ' A' ' 9' ' ' LYS . 28.9 m -91.82 -49.24 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.159 -0.963 . . . . 0.0 109.605 -179.872 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.601 ' N ' HG23 ' A' ' 8' ' ' VAL . 6.5 tttp -135.8 30.65 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.222 -0.924 . . . . 0.0 109.505 -179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.08 162.94 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.12 -0.988 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -156.47 108.07 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.237 -0.915 . . . . 0.0 109.307 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 172.32 5.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 121.307 -0.871 . . . . 0.0 109.197 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -90.6 170.15 3.72 Favored 'Trans proline' 0 N--CA 1.476 0.465 1 C-N-CA 125.544 4.162 . . . . 0.0 110.229 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -55.29 174.5 0.09 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.259 -0.901 . . . . 0.0 109.265 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.847 ' HA ' HD12 ' A' ' 31' ' ' LEU . 67.0 m-20 55.34 22.89 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.146 -0.971 . . . . 0.0 109.202 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 35.9 t -167.86 148.31 5.1 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.203 -0.936 . . . . 0.0 110.021 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.33 -175.12 13.92 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.97 138.1 31.71 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.112 -1.228 . . . . 0.0 109.666 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 1.6 t80 -144.99 44.8 1.35 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.818 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.518 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 12.3 ttm180 -87.91 81.26 7.57 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.299 -0.875 . . . . 0.0 109.411 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.557 ' NE2' HD11 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -148.67 -164.78 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.015 -1.053 . . . . 0.0 109.563 179.458 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.557 HD11 ' NE2' ' A' ' 21' ' ' HIS . 3.6 mt 72.18 -52.57 0.7 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.28 13.91 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.768 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 57.2 30.14 17.86 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.731 -0.606 . . . . 0.0 109.436 -179.794 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -177.38 48.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.228 -0.92 . . . . 0.0 109.752 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 20' ' ' ARG . 4.9 mm-40 -84.52 -110.0 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.258 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.39 176.5 0.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 O-C-N 120.805 -1.184 . . . . 0.0 109.759 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.1 m -73.55 132.7 43.13 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.309 -0.869 . . . . 0.0 109.49 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -108.47 134.95 50.55 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.288 -0.883 . . . . 0.0 108.806 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 2.6 m -61.59 167.38 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.049 -1.032 . . . . 0.0 109.764 -179.51 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 15' ' ' ASN . 78.3 mt -80.41 -164.49 0.71 Allowed 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.24 -0.913 . . . . 0.0 109.89 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD21 ' O ' ' A' ' 55' ' ' GLY . 92.0 mt -70.3 158.75 35.34 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.35 -0.844 . . . . 0.0 109.609 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m120 56.0 18.59 3.19 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.271 -0.893 . . . . 0.0 109.706 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -128.33 149.03 50.69 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.234 -0.916 . . . . 0.0 109.338 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 13.3 ptmt -129.72 -176.18 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.315 -0.865 . . . . 0.0 108.862 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -116.71 141.46 48.17 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.356 -0.84 . . . . 0.0 109.499 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -159.21 103.97 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.187 -0.946 . . . . 0.0 109.472 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.39 -100.51 2.36 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -134.83 -0.11 2.87 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.226 -1.161 . . . . 0.0 109.421 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -131.72 150.35 52.18 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.247 -0.908 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.6 m -86.25 147.37 26.12 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.032 -1.043 . . . . 0.0 109.482 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 22.4 m -124.83 -179.69 2.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 O-C-N 121.234 -0.916 . . . . 0.0 109.482 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.63 144.75 54.39 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.141 -0.974 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -123.75 68.4 42.91 Favored Pre-proline 0 CA--C 1.53 0.182 0 O-C-N 121.241 -0.912 . . . . 0.0 109.815 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -34.49 -33.59 0.08 OUTLIER 'Trans proline' 0 N--CA 1.482 0.814 1 C-N-CA 125.879 4.386 . . . . 0.0 110.559 179.502 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -135.66 91.59 17.97 Favored Pre-proline 0 CA--C 1.533 0.309 0 O-C-N 121.272 -0.893 . . . . 0.0 109.345 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -89.39 154.44 5.45 Favored 'Trans proline' 0 N--CA 1.478 0.612 1 C-N-CA 125.36 4.04 . . . . 0.0 110.485 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.792 HG23 ' HG2' ' A' ' 51' ' ' GLU . 6.2 t -137.24 -175.2 3.97 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.308 -0.87 . . . . 0.0 109.635 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.25 -25.52 8.83 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.311 -0.868 . . . . 0.0 108.946 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -68.89 -0.65 5.79 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.298 -0.876 . . . . 0.0 108.758 179.22 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.792 ' HG2' HG23 ' A' ' 48' ' ' THR . 9.6 pt-20 -95.31 49.83 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 179.363 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 42.03 71.91 0.19 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.199 0.524 . . . . 0.0 110.272 -179.093 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 7.8 t-20 59.68 82.29 0.15 Allowed 'General case' 0 N--CA 1.464 0.251 0 O-C-N 121.448 -0.782 . . . . 0.0 108.968 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.67 -41.71 64.0 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 108.036 -2.026 . . . . 0.0 108.036 178.611 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.797 ' O ' HG22 ' A' ' 90' ' ' ILE . . . -149.91 -3.25 0.27 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 107.531 -2.227 . . . . 0.0 107.531 179.17 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' ASP . 59.6 m -111.84 118.93 36.89 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.529 -0.983 . . . . 0.0 109.225 179.549 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -32.78 138.26 0.06 Allowed 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.404 0.621 . . . . 0.0 111.542 -179.272 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.88 -34.26 62.83 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.39 -0.819 . . . . 0.0 108.906 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -83.8 -10.2 58.24 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.422 -0.799 . . . . 0.0 109.075 179.788 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.2 165.73 11.91 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.211 -0.931 . . . . 0.0 109.5 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -91.87 169.84 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.351 -0.843 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.445 ' SG ' HD12 ' A' ' 74' ' ' ILE . 24.1 t -139.94 137.68 34.96 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.307 -0.871 . . . . 0.0 109.485 -179.741 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -119.96 139.92 51.72 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.275 -0.891 . . . . 0.0 109.488 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.74 17.0 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.253 -0.905 . . . . 0.0 109.492 -179.855 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 32.9 mt-10 -54.11 133.61 44.03 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.373 -0.829 . . . . 0.0 109.483 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.24 149.77 12.16 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.259 -0.901 . . . . 0.0 109.383 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.48 -9.01 5.16 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.264 -0.897 . . . . 0.0 109.456 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.1 -68.64 0.03 OUTLIER Glycine 0 CA--C 1.529 0.947 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.94 -69.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.153 -1.204 . . . . 0.0 109.475 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -111.22 47.68 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.232 -0.918 . . . . 0.0 109.404 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -139.69 82.97 0.24 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.45 101.77 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.242 -1.152 . . . . 0.0 109.388 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 160.62 15.48 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.252 -0.905 . . . . 0.0 109.452 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.514 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.2 mm -141.98 113.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 O-C-N 121.245 -0.91 . . . . 0.0 109.482 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.9 162.2 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.276 -0.89 . . . . 0.0 109.396 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.8 m -126.25 141.32 51.96 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.211 -0.931 . . . . 0.0 109.366 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -144.4 114.05 7.18 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.273 -0.892 . . . . 0.0 109.644 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 113.64 24.99 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.189 -0.944 . . . . 0.0 109.177 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -84.64 22.52 1.3 Allowed 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.212 -0.93 . . . . 0.0 109.787 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.401 ' N ' ' CD ' ' A' ' 80' ' ' LYS . 7.6 mptt -82.94 171.06 12.57 Favored Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 121.227 -0.921 . . . . 0.0 109.395 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -86.33 125.85 2.62 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 124.979 3.786 . . . . 0.0 109.039 179.261 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t0 72.67 -50.82 0.7 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.713 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.22 157.58 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.493 -0.754 . . . . 0.0 110.237 179.1 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -149.88 95.42 3.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -89.53 116.31 0.69 Allowed 'Trans proline' 0 N--CA 1.475 0.412 1 C-N-CA 125.307 4.004 . . . . 0.0 110.379 -179.335 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 9.7 mt -81.82 0.5 39.09 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.414 ' HB2' HG12 ' A' ' 90' ' ' ILE . 64.2 m-85 -154.27 -102.76 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.27 25.47 9.82 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 121.624 -0.672 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.44 -4.45 31.21 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 119.514 -1.326 . . . . 0.0 110.331 179.41 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.797 HG22 ' O ' ' A' ' 55' ' ' GLY . 11.5 pt -65.45 -26.32 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 120.942 -1.328 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.489 ' CE2' HD12 ' A' ' 90' ' ' ILE . 14.6 m-85 -130.31 72.8 1.5 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.278 -0.889 . . . . 0.0 110.232 -179.716 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.428 ' H ' ' HB2' ' A' ' 57' ' ' ASP . 5.1 m -76.63 135.0 39.16 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 120.957 -1.089 . . . . 0.0 108.925 179.354 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 m -129.14 163.41 25.57 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.058 -1.026 . . . . 0.0 109.72 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -174.04 -98.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.387 -0.821 . . . . 0.0 109.398 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.16 94.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.264 -0.898 . . . . 0.0 109.498 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 51.1 t30 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.035 -0.984 . . . . 0.0 109.419 -179.991 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.56 -165.62 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 O-C-N 121.308 -0.87 . . . . 0.0 109.425 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.37 -9.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.171 -0.956 . . . . 0.0 109.493 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.422 HE22 ' HG2' ' A' ' 81' ' ' PRO . 33.2 mt-30 -64.94 -96.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.28 -0.888 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -101.52 67.74 1.15 Allowed 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.169 -0.957 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -68.66 -49.38 59.54 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.594 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t 66.26 118.01 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.303 -0.873 . . . . 0.0 109.446 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.72 -144.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 121.2 -0.937 . . . . 0.0 109.641 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.573 ' H ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -66.65 -70.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.302 -0.874 . . . . 0.0 109.579 -179.867 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' H ' ' HG2' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 66.78 126.01 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.376 -0.828 . . . . 0.0 109.544 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -117.39 78.17 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.211 -0.93 . . . . 0.0 109.437 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.39 173.98 5.11 Favored Pre-proline 0 CA--C 1.531 0.219 0 O-C-N 121.254 -0.904 . . . . 0.0 109.243 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -88.85 158.83 6.07 Favored 'Trans proline' 0 N--CA 1.478 0.565 1 C-N-CA 125.437 4.092 . . . . 0.0 110.403 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -54.55 173.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 121.29 -0.881 . . . . 0.0 109.439 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 34' ' ' TYR . 11.0 m-20 60.88 14.7 5.41 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.206 -0.934 . . . . 0.0 109.144 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.401 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 33.6 t -157.12 134.8 10.77 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.347 -0.846 . . . . 0.0 109.491 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.16 171.1 13.59 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.74 154.53 17.73 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.249 -1.148 . . . . 0.0 109.807 -179.764 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 40.5 t80 -154.76 146.97 23.78 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.318 -0.864 . . . . 0.0 109.162 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.67 115.58 24.22 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.271 -0.893 . . . . 0.0 109.542 -179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.9 144.82 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.304 -0.873 . . . . 0.0 109.407 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.593 HD21 ' HB2' ' A' ' 59' ' ' ASP . 7.9 mp -68.31 -0.96 5.37 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.211 -0.931 . . . . 0.0 109.25 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.22 28.66 7.49 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.269 -0.894 . . . . 0.0 109.333 179.805 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.66 36.04 6.63 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.252 -0.905 . . . . 0.0 109.518 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.5 178.82 5.42 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.162 -0.961 . . . . 0.0 109.383 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -136.33 138.66 41.89 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.203 -0.936 . . . . 0.0 109.479 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -158.12 160.52 37.39 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.205 -0.934 . . . . 0.0 109.595 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.1 m -104.37 110.14 22.27 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.273 -0.892 . . . . 0.0 109.396 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 136.04 36.92 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.214 -0.929 . . . . 0.0 109.023 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.401 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 2.7 m -58.48 146.3 35.79 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.149 -0.969 . . . . 0.0 109.199 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.633 HD22 ' CG ' ' A' ' 87' ' ' PHE . 78.0 mt -61.52 -166.93 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.211 -0.931 . . . . 0.0 109.869 -179.545 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.789 HD21 HG23 ' A' ' 90' ' ' ILE . 9.2 mt -73.39 167.43 21.28 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.366 -0.834 . . . . 0.0 109.665 -179.766 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.0 m120 57.29 17.73 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.405 -0.81 . . . . 0.0 109.387 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 21.4 m-85 -131.06 173.19 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.366 -0.834 . . . . 0.0 109.355 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -153.89 -175.11 5.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.858 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -115.04 134.21 55.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.485 -0.76 . . . . 0.0 109.478 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -141.92 81.05 1.74 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.359 -0.838 . . . . 0.0 109.356 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.45 -92.83 1.72 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -136.45 -4.13 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.333 -1.098 . . . . 0.0 109.434 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -124.63 131.82 53.45 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.232 -0.917 . . . . 0.0 109.198 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 76.3 m -71.02 145.17 50.14 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.125 -0.984 . . . . 0.0 109.461 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.401 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 34.3 m -124.48 172.4 12.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 O-C-N 121.32 -0.863 . . . . 0.0 109.564 179.711 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -63.44 148.84 47.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.256 -0.903 . . . . 0.0 109.712 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -123.51 67.1 37.05 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 121.218 -0.926 . . . . 0.0 109.552 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -34.09 -33.62 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.774 1 C-N-CA 125.982 4.454 . . . . 0.0 110.678 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -138.8 92.73 11.08 Favored Pre-proline 0 CA--C 1.533 0.317 0 O-C-N 121.225 -0.922 . . . . 0.0 109.527 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -88.79 172.78 4.48 Favored 'Trans proline' 0 N--CA 1.479 0.648 0 C-N-CA 125.185 3.924 . . . . 0.0 110.004 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.7 HG23 ' HG2' ' A' ' 51' ' ' GLU . 8.8 t -158.25 -171.44 3.49 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.115 -0.99 . . . . 0.0 109.784 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 99.6 m -111.17 -31.52 7.07 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.427 -0.796 . . . . 0.0 108.931 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.02 -13.93 13.87 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.338 -0.851 . . . . 0.0 109.15 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.7 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.6 pt-20 -77.83 59.12 2.01 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 42.07 58.18 3.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.005 0.431 . . . . 0.0 111.455 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.8 OUTLIER 66.2 70.68 0.42 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.184 -0.947 . . . . 0.0 109.33 178.755 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -84.99 -48.02 5.05 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 179.382 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.4 -15.91 72.73 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -111.25 162.4 15.01 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.005 -1.291 . . . . 0.0 109.98 -179.739 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.55 ' OD1' ' HB2' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -51.18 -87.55 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.597 -0.69 . . . . 0.0 109.711 -179.932 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.443 ' HB3' HD11 ' A' ' 22' ' ' LEU . . . -153.81 -9.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.411 -0.806 . . . . 0.0 109.031 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HB2' HD21 ' A' ' 22' ' ' LEU . 1.1 t70 -138.86 -7.92 1.4 Allowed 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.342 -0.849 . . . . 0.0 109.403 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.55 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . . . -69.7 171.44 9.08 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.187 -0.945 . . . . 0.0 109.705 -179.723 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -91.13 115.02 27.68 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.273 -0.892 . . . . 0.0 109.309 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 25.0 t -92.4 141.64 28.31 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.172 -0.955 . . . . 0.0 109.691 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.98 155.25 40.54 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.264 -0.897 . . . . 0.0 109.38 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.38 30.65 6.21 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.18 -0.95 . . . . 0.0 109.588 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.89 174.48 10.52 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.17 -0.956 . . . . 0.0 109.612 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.84 157.07 10.22 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.339 -0.851 . . . . 0.0 109.507 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.19 -97.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.267 -0.896 . . . . 0.0 109.403 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.21 120.22 0.59 Allowed Glycine 0 CA--C 1.528 0.901 0 N-CA-C 109.629 -1.389 . . . . 0.0 109.629 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 p -169.01 -123.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.237 -1.155 . . . . 0.0 109.389 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -125.71 -92.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.222 -0.924 . . . . 0.0 109.462 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.05 -102.19 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.3 155.83 29.96 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.234 -1.157 . . . . 0.0 109.411 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -94.04 106.06 18.04 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.226 -0.921 . . . . 0.0 109.487 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mm -120.75 115.36 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 O-C-N 121.222 -0.924 . . . . 0.0 109.221 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.451 HG22 ' H ' ' A' ' 76' ' ' CYS . 0.7 OUTLIER -111.3 173.21 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.278 -0.889 . . . . 0.0 109.642 -179.801 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.451 ' H ' HG22 ' A' ' 75' ' ' THR . 0.8 OUTLIER -152.19 148.32 27.45 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.344 -0.847 . . . . 0.0 110.077 -179.929 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -136.86 86.89 2.24 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.386 -0.821 . . . . 0.0 108.84 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.5 m -60.37 117.23 4.98 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.308 -0.87 . . . . 0.0 109.935 -179.439 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 t -71.1 0.77 6.9 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.27 -0.893 . . . . 0.0 108.835 179.335 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -62.35 168.99 3.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.461 -0.774 . . . . 0.0 109.231 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.422 ' HG2' HE22 ' A' ' 4' ' ' GLN . 3.6 Cg_endo -79.38 130.94 9.31 Favored 'Trans proline' 0 N--CA 1.478 0.609 0 C-N-CA 124.641 3.561 . . . . 0.0 109.506 179.599 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 72.68 -53.11 0.7 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.165 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t 51.92 92.43 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.522 -0.736 . . . . 0.0 109.823 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.401 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 4.6 m-85 -116.14 81.9 10.81 Favored Pre-proline 0 C--N 1.33 -0.25 0 O-C-N 121.233 -0.917 . . . . 0.0 109.881 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 19.7 Cg_exo -33.1 151.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.483 0.889 1 C-N-CA 125.63 4.22 . . . . 0.0 110.665 179.615 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.798 HD12 ' CB ' ' A' ' 91' ' ' PHE . 58.2 mt -120.05 -2.31 10.25 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.268 -0.895 . . . . 0.0 109.726 -179.701 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.633 ' CG ' HD22 ' A' ' 31' ' ' LEU . 78.1 m-85 -152.22 -14.53 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.024 -1.048 . . . . 0.0 109.965 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 166.98 -46.36 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.635 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 179.34 7.51 0.02 OUTLIER Glycine 0 CA--C 1.529 0.931 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.789 HG23 HD21 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -81.58 -86.94 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 O-C-N 121.056 -1.261 . . . . 0.0 108.913 179.751 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.798 ' CB ' HD12 ' A' ' 86' ' ' LEU . 12.4 m-85 -66.59 113.91 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.315 -0.865 . . . . 0.0 109.297 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 6.4 m -107.57 64.28 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.247 -0.908 . . . . 0.0 109.452 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 p -116.72 -160.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.272 -0.892 . . . . 0.0 109.394 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.76 147.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.293 -0.879 . . . . 0.0 109.385 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.49 -69.4 0.72 Allowed 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.228 -0.92 . . . . 0.0 109.45 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 m120 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.431 -179.912 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 mm -103.62 75.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 121.238 -0.914 . . . . 0.0 109.468 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 t -104.77 51.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.247 -0.908 . . . . 0.0 109.396 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -108.3 17.35 22.28 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.303 -0.873 . . . . 0.0 109.487 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.428 ' H ' ' H ' ' A' ' 6' ' ' GLN . 5.8 p80 -179.49 -9.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.238 -0.913 . . . . 0.0 109.462 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.428 ' H ' ' H ' ' A' ' 5' ' ' HIS . 0.9 OUTLIER -66.8 164.12 17.9 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.281 -0.887 . . . . 0.0 109.484 179.884 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.58 177.32 4.68 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.212 -0.93 . . . . 0.0 109.267 179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.65 -12.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 O-C-N 121.259 -0.9 . . . . 0.0 109.508 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -144.54 48.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.386 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' CG ' ' H ' ' A' ' 11' ' ' GLN . 1.5 ttmm -139.17 -160.42 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.205 -0.934 . . . . 0.0 109.466 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.451 ' H ' ' CG ' ' A' ' 10' ' ' LYS . 9.0 mt-30 -162.91 49.66 0.16 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.245 -0.909 . . . . 0.0 109.603 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 21.2 t -54.83 131.81 66.33 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 121.217 -0.927 . . . . 0.0 108.59 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 28.8 Cg_endo -83.55 -169.33 0.68 Allowed 'Trans proline' 0 N--CA 1.483 0.909 0 C-N-CA 124.319 3.346 . . . . 0.0 110.863 -179.479 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -72.88 173.78 8.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.665 ' HA ' HD12 ' A' ' 31' ' ' LEU . 29.1 m-20 55.32 27.26 9.64 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.162 -0.961 . . . . 0.0 109.148 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 52.5 p -165.47 125.08 1.76 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.282 -0.886 . . . . 0.0 109.355 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.08 163.83 20.33 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.63 175.84 9.44 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.314 -1.109 . . . . 0.0 109.83 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.959 ' CE2' HD13 ' A' ' 22' ' ' LEU . 2.1 t80 -166.79 101.92 0.57 Allowed 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.478 -0.764 . . . . 0.0 109.165 -179.727 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.53 78.63 1.74 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 121.095 -1.003 . . . . 0.0 109.951 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.453 ' NE2' ' CZ ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -176.57 1.78 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.09 -1.006 . . . . 0.0 110.282 179.481 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.959 HD13 ' CE2' ' A' ' 19' ' ' PHE . 2.1 mp -109.92 -0.61 18.16 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.079 -1.013 . . . . 0.0 109.119 179.591 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.68 8.23 0.31 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.62 1.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.659 -0.651 . . . . 0.0 109.623 -179.672 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -110.5 174.48 5.84 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.134 -0.979 . . . . 0.0 109.142 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 134.76 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.117 -0.989 . . . . 0.0 109.764 -179.828 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.3 160.38 40.36 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.347 -0.846 . . . . 0.0 109.327 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.25 101.31 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.198 -0.938 . . . . 0.0 108.56 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 10.7 tttm -93.38 160.16 14.93 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 121.287 -0.883 . . . . 0.0 109.518 -179.126 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.0 m -80.07 156.97 26.84 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.121 -0.987 . . . . 0.0 109.775 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 15' ' ' ASN . 40.0 mt -65.09 -164.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.247 -0.908 . . . . 0.0 109.222 179.77 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.15 162.94 27.57 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.131 -0.98 . . . . 0.0 109.526 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 59.11 16.94 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.279 -0.888 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -124.56 172.9 8.85 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.284 -0.885 . . . . 0.0 109.72 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.512 ' HG3' HG23 ' A' ' 42' ' ' VAL . 8.1 ptmt -154.65 -173.32 4.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -108.37 138.2 45.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.486 -0.759 . . . . 0.0 109.762 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -159.36 102.11 1.56 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.259 -0.9 . . . . 0.0 109.312 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.83 -123.39 6.09 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -112.56 12.84 19.96 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.236 -1.156 . . . . 0.0 109.312 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.34 147.46 31.36 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.333 -0.855 . . . . 0.0 109.052 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.4 m -75.72 149.49 38.05 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.265 -0.897 . . . . 0.0 109.637 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.512 HG23 ' HG3' ' A' ' 35' ' ' LYS . 28.6 m -122.65 166.91 16.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 121.238 -0.914 . . . . 0.0 109.673 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -56.92 154.57 9.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.146 -0.971 . . . . 0.0 109.319 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 35' ' ' LYS . 13.1 t-20 -129.55 112.89 17.9 Favored Pre-proline 0 CA--C 1.535 0.369 0 O-C-N 121.164 -0.96 . . . . 0.0 109.717 -179.616 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 12.3 Cg_endo -89.79 -15.89 2.05 Favored 'Trans proline' 0 N--CA 1.478 0.563 0 C-N-CA 124.892 3.728 . . . . 0.0 109.901 179.407 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -130.67 87.16 50.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.51 -0.744 . . . . 0.0 109.019 179.727 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -86.98 113.69 1.03 Allowed 'Trans proline' 0 N--CA 1.477 0.542 0 C-N-CA 125.273 3.982 . . . . 0.0 110.7 -179.631 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.778 HG23 ' HG2' ' A' ' 51' ' ' GLU . 5.3 t -119.05 -174.6 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.303 -0.873 . . . . 0.0 109.18 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.8 m -111.85 -25.74 9.29 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.231 -0.918 . . . . 0.0 108.953 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -69.51 -0.32 6.44 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.338 -0.851 . . . . 0.0 108.708 179.22 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.778 ' HG2' HG23 ' A' ' 48' ' ' THR . 10.1 pt-20 -96.55 50.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.92 71.57 0.21 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.24 0.543 . . . . 0.0 110.396 -179.179 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 5.7 t30 60.21 85.2 0.11 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.552 0.691 . . . . 0.0 109.235 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.13 -42.32 84.47 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 107.762 -2.135 . . . . 0.0 107.762 178.342 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.13 -0.37 0.3 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 107.456 -2.258 . . . . 0.0 107.456 178.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASP . 75.2 m -111.15 111.52 22.65 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.632 -0.922 . . . . 0.0 109.314 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -28.11 140.41 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.376 0.607 . . . . 0.0 112.018 -179.374 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.38 -34.58 64.45 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.339 -0.85 . . . . 0.0 108.996 -179.773 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.694 ' HB2' HD21 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -82.05 -11.3 58.87 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.318 -0.864 . . . . 0.0 108.735 179.586 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 92' ' ' CYS . . . -95.36 142.75 27.38 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.35 -0.844 . . . . 0.0 109.27 179.771 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.52 169.13 17.12 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.174 -0.954 . . . . 0.0 109.27 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.7 t -137.03 155.03 50.2 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.273 -0.892 . . . . 0.0 109.154 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.95 144.14 24.74 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.12 -0.988 . . . . 0.0 109.519 -179.757 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.47 -9.97 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.32 -0.863 . . . . 0.0 109.535 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.69 -178.08 5.74 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.294 -0.879 . . . . 0.0 109.734 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.4 t0 57.16 17.1 3.34 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.429 -0.794 . . . . 0.0 109.759 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 m -161.44 -127.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.253 -0.904 . . . . 0.0 109.432 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.541 ' H ' ' CB ' ' A' ' 73' ' ' LYS . . . -67.03 -139.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.54 ' H ' ' HB2' ' A' ' 72' ' ' LYS . 0.6 OUTLIER 179.23 153.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.239 -1.153 . . . . 0.0 109.774 179.92 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 54.66 40.02 31.62 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.368 -0.832 . . . . 0.0 109.83 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.09 -45.6 1.28 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.54 ' HB2' ' H ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -51.24 126.34 16.5 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.684 -0.892 . . . . 0.0 110.017 -179.637 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.541 ' CB ' ' H ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER 64.14 121.43 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.656 0.741 . . . . 0.0 110.003 179.714 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.0 mm -138.89 156.47 28.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 121.193 -0.942 . . . . 0.0 109.001 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.66 149.45 35.7 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.144 -0.972 . . . . 0.0 109.568 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.9 m -115.45 136.31 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.355 -0.841 . . . . 0.0 109.21 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.26 84.9 2.3 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.21 -0.931 . . . . 0.0 109.573 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.64 112.28 6.76 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.294 -0.879 . . . . 0.0 109.139 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 79' ' ' THR . 15.1 t -89.54 41.32 1.03 Allowed 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.229 -0.92 . . . . 0.0 110.01 -179.416 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 169.14 6.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 O-C-N 121.151 -0.968 . . . . 0.0 109.17 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -84.01 127.82 4.2 Favored 'Trans proline' 0 N--CA 1.477 0.509 0 C-N-CA 124.901 3.734 . . . . 0.0 109.535 179.611 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.72 -52.62 0.7 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -178.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.83 160.01 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.401 -0.812 . . . . 0.0 110.17 179.245 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -148.93 94.06 4.11 Favored Pre-proline 0 C--N 1.328 -0.329 0 O-C-N 121.396 -0.815 . . . . 0.0 109.073 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -91.34 119.95 0.6 Allowed 'Trans proline' 0 N--CA 1.475 0.426 1 C-N-CA 125.605 4.203 . . . . 0.0 110.237 -179.68 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 87' ' ' PHE . 21.3 mt -92.04 -24.29 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.295 -0.878 . . . . 0.0 108.942 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.441 ' CD2' ' HB2' ' A' ' 86' ' ' LEU . 42.8 m-85 -147.12 73.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER 75.94 -32.92 0.21 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.953 -0.467 . . . . 0.0 110.298 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.48 31.57 0.07 OUTLIER Glycine 0 CA--C 1.533 1.181 0 C-N-CA 118.964 -1.588 . . . . 0.0 111.273 179.419 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.782 HD11 ' CE2' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -91.95 -12.85 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 120.735 -1.45 . . . . 0.0 108.776 179.121 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.782 ' CE2' HD11 ' A' ' 90' ' ' ILE . 29.0 m-85 -131.85 38.95 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.444 -0.785 . . . . 0.0 109.116 179.48 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -53.31 165.21 0.38 Allowed 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.341 -0.849 . . . . 0.0 109.782 -179.83 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -151.9 -161.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.316 -0.865 . . . . 0.0 109.241 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.1 p -134.14 -130.4 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.244 -0.91 . . . . 0.0 109.357 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 p -167.94 128.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.309 -0.869 . . . . 0.0 109.46 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.2 m120 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.417 -179.961 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.4 mm -88.17 101.49 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 O-C-N 121.275 -0.891 . . . . 0.0 109.463 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 t -162.78 -7.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.233 -0.917 . . . . 0.0 109.502 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -56.17 -70.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.303 -0.873 . . . . 0.0 109.565 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.513 ' CG ' HD11 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -55.21 -34.98 64.4 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.222 -0.924 . . . . 0.0 109.527 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 6.2 tt0 -55.5 169.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.285 -0.885 . . . . 0.0 109.549 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.39 178.38 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.268 -0.895 . . . . 0.0 109.312 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.0 t -105.03 -67.56 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 O-C-N 121.28 -0.887 . . . . 0.0 109.592 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.8 35.95 4.5 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.276 -0.89 . . . . 0.0 109.439 -179.886 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HZ1' ' HB2' ' A' ' 12' ' ' CYS . 2.8 ttpp -106.4 175.92 5.34 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.276 -0.89 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' H ' ' HG2' ' A' ' 10' ' ' LYS . 3.5 pt20 -148.5 99.12 2.98 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.225 -0.922 . . . . 0.0 110.07 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.499 ' HB2' ' HZ1' ' A' ' 10' ' ' LYS . 19.5 t -96.16 135.71 22.49 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.363 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 18.3 Cg_endo -82.18 -169.34 0.74 Allowed 'Trans proline' 0 N--CA 1.483 0.874 0 C-N-CA 124.322 3.348 . . . . 0.0 110.925 -179.435 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -73.93 174.45 8.53 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.646 ' HA ' HD12 ' A' ' 31' ' ' LEU . 33.9 m-20 55.26 22.18 4.59 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.091 -1.006 . . . . 0.0 109.045 -179.733 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 38.7 p -160.38 130.22 5.2 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.34 -0.85 . . . . 0.0 109.446 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.81 161.12 17.75 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.6 t -96.58 141.3 30.01 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.449 -1.03 . . . . 0.0 109.512 -179.804 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -138.16 112.4 8.63 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.207 -0.933 . . . . 0.0 109.449 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -63.89 114.38 4.04 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.18 -0.95 . . . . 0.0 109.319 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.43 139.4 37.35 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.289 -0.882 . . . . 0.0 109.446 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.724 HD21 ' OD2' ' A' ' 59' ' ' ASP . 7.2 mp -62.78 -9.53 9.72 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.248 -0.907 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.86 38.5 1.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.278 -0.889 . . . . 0.0 109.241 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 57.23 31.85 20.75 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.225 -0.922 . . . . 0.0 109.594 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.79 178.4 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.2 -0.937 . . . . 0.0 109.379 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -134.61 128.53 33.35 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.233 -0.917 . . . . 0.0 109.475 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -132.45 162.97 29.81 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.257 -0.902 . . . . 0.0 109.768 179.857 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -132.01 108.15 9.15 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -102.02 160.81 14.18 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.266 -0.896 . . . . 0.0 109.434 -179.17 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.421 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.7 m -78.8 152.19 31.52 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 120.979 -1.075 . . . . 0.0 109.364 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 15' ' ' ASN . 75.8 mt -62.14 -164.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.305 -0.872 . . . . 0.0 109.854 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.89 164.35 26.65 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.237 -0.914 . . . . 0.0 109.405 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 56.72 17.36 3.12 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.25 -0.906 . . . . 0.0 109.599 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -125.02 174.57 7.92 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.309 -0.869 . . . . 0.0 109.602 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HG3' HG23 ' A' ' 42' ' ' VAL . 8.7 ptmt -159.5 -174.24 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -112.6 134.42 54.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.449 -0.782 . . . . 0.0 109.601 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -154.87 72.96 0.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.146 -0.971 . . . . 0.0 109.407 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.35 -131.01 10.41 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -101.92 15.49 28.85 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.248 -1.148 . . . . 0.0 109.479 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -151.55 153.19 34.06 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.247 -0.908 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.6 m -84.68 148.22 26.52 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.173 -0.955 . . . . 0.0 109.293 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.404 HG23 ' HG3' ' A' ' 35' ' ' LYS . 35.1 m -120.83 172.9 7.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 O-C-N 121.116 -0.99 . . . . 0.0 109.702 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 146.92 53.8 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.272 -0.892 . . . . 0.0 109.511 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -124.12 67.68 44.94 Favored Pre-proline 0 C--N 1.331 -0.232 0 O-C-N 121.281 -0.887 . . . . 0.0 109.446 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -33.86 -34.12 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.769 1 C-N-CA 125.973 4.449 . . . . 0.0 110.619 179.66 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -133.59 86.11 40.65 Favored Pre-proline 0 CA--C 1.532 0.251 0 O-C-N 121.25 -0.906 . . . . 0.0 109.529 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -89.23 165.99 5.52 Favored 'Trans proline' 0 N--CA 1.478 0.609 1 C-N-CA 125.504 4.136 . . . . 0.0 110.197 179.791 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.706 ' HA ' HD11 ' A' ' 74' ' ' ILE . 9.4 t -159.9 -167.41 1.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.21 -0.931 . . . . 0.0 109.818 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.7 m -104.42 -20.5 13.7 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -62.5 -12.67 23.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.425 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 2.4 mt-10 -75.1 53.78 0.64 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.078 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 4.3 p-10 42.07 59.1 2.7 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 109.947 -178.848 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.521 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.5 OUTLIER 66.72 55.59 0.76 Allowed 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.467 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.47 -46.05 16.41 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.04 -16.3 75.06 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.521 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 1.1 m -111.43 161.69 15.85 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 120.981 -1.305 . . . . 0.0 110.422 -179.596 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -92.24 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.371 -0.83 . . . . 0.0 109.472 179.852 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.69 -9.89 0.21 Allowed 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.261 -0.9 . . . . 0.0 109.422 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.724 ' OD2' HD21 ' A' ' 22' ' ' LEU . 70.0 m-20 -132.71 -14.5 2.8 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.275 -0.89 . . . . 0.0 109.599 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.81 167.11 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.187 -0.946 . . . . 0.0 109.547 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -87.49 125.38 34.28 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.255 -0.903 . . . . 0.0 109.408 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.84 159.07 15.16 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.185 -0.947 . . . . 0.0 109.81 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.62 156.67 30.48 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.441 -0.787 . . . . 0.0 109.083 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -138.72 18.61 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.075 -1.016 . . . . 0.0 109.6 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 65' ' ' GLU . 32.3 mt-10 -54.14 99.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.311 -0.868 . . . . 0.0 109.339 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -79.67 -170.63 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.305 -0.872 . . . . 0.0 109.583 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.43 -10.75 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.353 -0.842 . . . . 0.0 109.402 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.41 -155.53 16.1 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.29 -156.34 0.28 Allowed 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.227 -1.16 . . . . 0.0 109.524 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -113.47 50.51 0.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.278 -0.889 . . . . 0.0 109.39 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.77 97.03 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 162.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.313 -1.11 . . . . 0.0 109.417 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 150.55 48.53 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.23 -0.919 . . . . 0.0 109.427 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' A' ' 48' ' ' THR . 1.2 mm -124.13 152.94 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.26 -0.9 . . . . 0.0 109.291 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 m -147.23 157.45 43.6 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.187 -0.946 . . . . 0.0 109.47 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -159.61 145.18 15.75 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.179 -0.95 . . . . 0.0 109.519 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -144.74 111.86 5.96 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.331 -0.856 . . . . 0.0 109.098 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.38 75.93 9.27 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.245 -0.909 . . . . 0.0 109.149 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 79' ' ' THR . 12.4 t -75.67 44.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.271 -0.893 . . . . 0.0 109.526 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -113.4 175.5 1.83 Allowed Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 121.201 -0.937 . . . . 0.0 109.408 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 10.9 Cg_endo -87.51 139.85 5.09 Favored 'Trans proline' 0 N--CA 1.476 0.495 0 C-N-CA 125.292 3.995 . . . . 0.0 109.794 179.598 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t70 66.99 2.35 2.67 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.367 -0.833 . . . . 0.0 109.402 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.07 121.51 16.28 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 121.173 -0.954 . . . . 0.0 109.003 179.662 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.419 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 9.6 m-85 -141.52 78.98 17.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 O-C-N 121.159 -0.963 . . . . 0.0 109.787 -179.466 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 22.6 Cg_exo -31.94 150.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.484 0.918 1 C-N-CA 125.974 4.449 . . . . 0.0 110.88 179.69 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.513 HD11 ' CG ' ' A' ' 5' ' ' HIS . 33.4 mt -115.97 -26.23 7.39 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.224 -0.922 . . . . 0.0 109.87 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CE2' HD21 ' A' ' 31' ' ' LEU . 91.2 m-85 -127.66 -14.13 5.22 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.078 -1.014 . . . . 0.0 109.68 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 166.88 -47.94 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . 173.07 12.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.688 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.4 pt -94.42 10.5 4.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 O-C-N 121.224 -1.162 . . . . 0.0 109.461 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.688 ' CE2' HD12 ' A' ' 90' ' ' ILE . 70.9 m-85 -154.67 44.97 0.52 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.279 -0.888 . . . . 0.0 109.562 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.95 77.18 5.42 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.086 -1.009 . . . . 0.0 109.288 179.799 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.9 t -55.26 134.22 49.76 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.227 -0.921 . . . . 0.0 109.66 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.9 t -85.43 -164.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.331 -0.856 . . . . 0.0 109.41 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -8.2 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.278 -0.889 . . . . 0.0 109.457 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.44 -179.92 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.3 t30 . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.7 HD11 ' HZ1' ' A' ' 80' ' ' LYS . 0.4 OUTLIER -108.15 -26.14 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 121.27 -0.894 . . . . 0.0 109.43 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 m 55.06 -106.76 0.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.284 -0.885 . . . . 0.0 109.377 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -178.73 135.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.244 -0.91 . . . . 0.0 109.48 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.453 ' CE1' HD11 ' A' ' 86' ' ' LEU . 48.7 p-80 -76.45 44.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.222 -0.924 . . . . 0.0 109.384 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.33 139.55 32.97 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.187 -0.946 . . . . 0.0 109.496 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.73 132.31 51.12 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.293 -0.88 . . . . 0.0 109.474 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -87.43 98.47 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 121.298 -0.876 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.68 13.22 5.14 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.229 -0.919 . . . . 0.0 109.39 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.54 123.89 45.36 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.29 -0.881 . . . . 0.0 109.389 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -117.42 119.32 34.72 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 169.09 17.88 Favored Pre-proline 0 CA--C 1.532 0.268 0 O-C-N 121.256 -0.903 . . . . 0.0 109.205 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -90.41 163.48 4.47 Favored 'Trans proline' 0 N--CA 1.479 0.634 1 C-N-CA 125.388 4.059 . . . . 0.0 110.575 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -56.02 175.94 0.09 Allowed 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.301 -0.875 . . . . 0.0 109.275 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 55.22 28.95 11.9 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 121.25 -0.906 . . . . 0.0 108.851 -179.783 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -162.27 155.57 20.48 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.366 -0.834 . . . . 0.0 109.465 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.06 153.71 19.93 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.58 140.93 50.01 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.234 -1.156 . . . . 0.0 109.574 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.476 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 1.8 t80 -146.64 48.85 1.16 Allowed 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.252 -0.905 . . . . 0.0 109.569 -179.738 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.565 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 10.2 ttm180 -90.77 92.21 8.7 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.494 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.604 ' NE2' HD11 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -160.07 -164.11 1.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 120.808 -1.182 . . . . 0.0 109.691 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.604 HD11 ' NE2' ' A' ' 21' ' ' HIS . 1.7 mt 72.64 -52.75 0.7 Allowed 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -178.838 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.34 18.53 12.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.61 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 68.24 -0.45 2.16 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.497 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.91 104.35 2.29 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.114 -0.991 . . . . 0.0 109.113 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.565 ' HB2' ' HA ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -128.75 -103.68 0.31 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.97 -1.081 . . . . 0.0 109.367 179.305 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 175.57 177.61 0.19 Allowed 'General case' 0 N--CA 1.465 0.285 0 O-C-N 120.78 -1.2 . . . . 0.0 110.083 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 m -96.7 132.27 42.54 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.342 -0.849 . . . . 0.0 109.478 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.33 139.03 45.94 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.515 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -54.17 152.05 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.225 -0.922 . . . . 0.0 109.693 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.479 HD23 ' CD1' ' A' ' 90' ' ' ILE . 43.7 mt -60.2 -164.86 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.264 -0.898 . . . . 0.0 109.914 -179.709 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.63 163.51 27.25 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.243 -0.911 . . . . 0.0 109.702 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 56.87 17.79 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.416 -0.802 . . . . 0.0 109.593 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.77 177.11 5.61 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.243 -0.911 . . . . 0.0 109.324 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -160.95 -175.4 4.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.4 142.09 45.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.359 -0.838 . . . . 0.0 109.682 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' OE1' HG11 ' A' ' 42' ' ' VAL . 5.7 tt0 -153.4 64.82 0.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.326 -0.859 . . . . 0.0 109.355 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.4 -103.62 1.99 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -125.91 2.19 7.34 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.238 -1.154 . . . . 0.0 109.331 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.49 140.31 48.31 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.331 -0.856 . . . . 0.0 108.988 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.3 m -78.26 144.22 36.37 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.065 -1.022 . . . . 0.0 109.395 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.474 HG11 ' OE1' ' A' ' 37' ' ' GLU . 30.7 m -121.58 175.57 4.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 O-C-N 121.196 -0.94 . . . . 0.0 109.79 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.85 137.46 57.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.291 -0.881 . . . . 0.0 109.655 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -106.6 115.28 60.89 Favored Pre-proline 0 CA--C 1.536 0.429 0 O-C-N 121.329 -0.857 . . . . 0.0 109.485 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -89.33 -15.52 2.34 Favored 'Trans proline' 0 N--CA 1.479 0.63 0 C-N-CA 124.739 3.626 . . . . 0.0 110.168 179.75 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.28 84.53 35.34 Favored Pre-proline 0 C--N 1.331 -0.225 0 O-C-N 121.344 -0.847 . . . . 0.0 109.234 179.869 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -90.83 132.39 1.61 Allowed 'Trans proline' 0 N--CA 1.476 0.492 1 C-N-CA 125.661 4.241 . . . . 0.0 110.664 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.421 HG23 ' HG2' ' A' ' 51' ' ' GLU . 14.2 t -141.25 -158.94 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.336 -0.852 . . . . 0.0 109.256 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.86 -26.36 4.45 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.61 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -70.84 2.5 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.265 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HG2' HG23 ' A' ' 48' ' ' THR . 10.5 pt-20 -100.35 48.14 0.92 Allowed 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.428 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p30 43.08 73.57 0.14 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.421 0.629 . . . . 0.0 109.72 -178.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.486 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.3 OUTLIER 63.5 90.28 0.08 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 122.653 1.216 . . . . 0.0 108.587 -179.379 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.54 37.78 3.47 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 107.709 -2.157 . . . . 0.0 107.709 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.825 ' O ' HG22 ' A' ' 90' ' ' ILE . . . 128.26 -14.87 6.17 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.765 -2.134 . . . . 0.0 107.765 -178.585 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.486 ' C ' HD22 ' A' ' 53' ' ' ASN . 56.9 m -112.08 132.41 54.85 Favored 'General case' 0 N--CA 1.461 0.112 0 O-C-N 121.365 -1.079 . . . . 0.0 108.585 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.452 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -43.71 135.99 3.64 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.298 0.571 . . . . 0.0 110.298 -179.08 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.5 -34.08 56.76 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.458 -0.776 . . . . 0.0 109.741 -179.496 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.5 5.89 50.05 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.219 -0.926 . . . . 0.0 109.541 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.452 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . . . -102.0 172.32 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.142 -0.974 . . . . 0.0 109.933 -179.695 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 136.88 34.57 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.455 -0.778 . . . . 0.0 108.913 179.52 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.412 ' SG ' HD12 ' A' ' 74' ' ' ILE . 12.6 t -112.7 136.97 51.67 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.286 -0.884 . . . . 0.0 109.473 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p -123.78 140.18 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.215 -0.928 . . . . 0.0 109.447 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.93 -19.05 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.322 -0.861 . . . . 0.0 109.398 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' ' 65' ' ' GLU . 7.7 pt-20 -74.47 75.15 1.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.281 -0.887 . . . . 0.0 109.509 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -122.39 -87.42 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.27 -0.894 . . . . 0.0 109.435 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -102.91 -96.43 0.3 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.187 -0.946 . . . . 0.0 109.393 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.31 88.47 1.91 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.44 -58.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.228 -1.16 . . . . 0.0 109.46 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -129.39 46.7 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.201 -0.937 . . . . 0.0 109.44 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.8 108.9 0.8 Allowed Glycine 0 CA--C 1.529 0.95 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -62.87 130.03 43.05 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.277 -1.131 . . . . 0.0 109.447 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 124.55 49.72 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.232 -0.918 . . . . 0.0 109.431 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.545 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.5 mm -117.33 106.8 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.265 -0.897 . . . . 0.0 109.353 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.03 157.07 17.98 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.209 -0.932 . . . . 0.0 109.542 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.0 m -136.98 152.31 50.0 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.254 -0.904 . . . . 0.0 109.364 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -165.96 109.92 0.81 Allowed 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.251 -0.906 . . . . 0.0 109.37 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 31.9 m -61.14 117.06 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.191 -0.943 . . . . 0.0 109.58 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 79' ' ' THR . 10.4 t -78.2 43.95 0.47 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.244 -0.91 . . . . 0.0 109.116 179.714 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.7 ' HZ1' HD11 ' A' ' 2' ' ' ILE . 1.9 mtmp? -122.28 169.7 9.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 O-C-N 121.359 -0.838 . . . . 0.0 109.319 -179.748 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -82.13 -35.04 0.39 Allowed 'Trans proline' 0 N--CA 1.479 0.642 0 C-N-CA 124.989 3.793 . . . . 0.0 109.598 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -90.78 19.56 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.5 p -55.07 98.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.623 -0.673 . . . . 0.0 109.612 -179.725 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -127.04 71.53 75.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 O-C-N 121.314 -0.866 . . . . 0.0 109.178 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -30.05 148.18 0.02 OUTLIER 'Trans proline' 0 N--CA 1.482 0.816 1 C-N-CA 126.206 4.604 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' A' ' 91' ' ' PHE . 55.1 mt -102.47 -30.39 11.03 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.257 -0.902 . . . . 0.0 109.66 -179.806 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.597 ' CD2' HD11 ' A' ' 90' ' ' ILE . 88.6 m-85 -130.85 -18.75 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.098 -1.001 . . . . 0.0 109.709 -179.704 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 169.07 -40.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.754 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.97 23.59 0.02 OUTLIER Glycine 0 CA--C 1.528 0.902 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.825 HG22 ' O ' ' A' ' 55' ' ' GLY . 24.8 pt -96.4 -33.22 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 O-C-N 121.151 -1.205 . . . . 0.0 109.108 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.776 ' HB2' HD12 ' A' ' 86' ' ' LEU . 21.4 m-85 -136.51 120.28 17.35 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.39 -0.819 . . . . 0.0 109.383 179.755 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -164.84 0.89 Allowed 'General case' 0 N--CA 1.464 0.249 0 O-C-N 120.991 -1.068 . . . . 0.0 109.376 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.86 177.84 10.57 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.381 -0.825 . . . . 0.0 109.436 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.1 -46.04 3.12 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.211 -0.93 . . . . 0.0 109.396 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.6 t -175.27 -44.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.216 -0.928 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.413 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 mm -79.41 94.21 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 121.195 -0.94 . . . . 0.0 109.488 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -77.81 104.73 8.54 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.298 -0.877 . . . . 0.0 109.435 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.406 ' HB3' ' CD2' ' A' ' 5' ' ' HIS . 7.1 tt0 -175.05 -53.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.271 -0.893 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.419 ' CD2' ' HB2' ' A' ' 93' ' ' SER . 0.0 OUTLIER -114.12 3.7 15.33 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.224 -0.923 . . . . 0.0 109.348 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -92.05 4.0 54.05 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.296 -0.877 . . . . 0.0 109.363 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.3 m 55.92 -173.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.242 -0.911 . . . . 0.0 109.556 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 9' ' ' LYS . 13.4 p -153.85 -38.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 O-C-N 121.317 -0.864 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.473 ' N ' HG13 ' A' ' 8' ' ' VAL . 2.1 ttpm? -101.57 -31.87 10.64 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.293 -0.879 . . . . 0.0 109.392 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' HZ1' ' C ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -55.39 166.32 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.335 -0.853 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -155.03 56.53 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.295 -0.878 . . . . 0.0 109.564 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 m -54.8 170.92 0.32 Allowed Pre-proline 0 CA--C 1.533 0.297 0 O-C-N 121.261 -0.9 . . . . 0.0 109.338 179.826 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -88.71 161.39 6.33 Favored 'Trans proline' 0 N--CA 1.479 0.62 1 C-N-CA 125.334 4.023 . . . . 0.0 110.335 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -54.64 174.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.281 -0.887 . . . . 0.0 109.526 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.437 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 20.1 m-20 55.82 25.96 9.05 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.2 -0.937 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 t -163.56 120.9 1.82 Allowed 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.254 -0.903 . . . . 0.0 109.714 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' HA3' ' CZ ' ' A' ' 91' ' ' PHE . . . -94.5 170.49 29.8 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.93 159.4 16.06 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.237 -1.155 . . . . 0.0 109.703 -179.789 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.68 ' CE2' HD12 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -139.42 116.27 10.87 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.212 -0.93 . . . . 0.0 108.78 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.96 81.59 1.69 Allowed 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.107 -0.996 . . . . 0.0 109.795 -179.622 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.456 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 1.2 p80 -179.68 -48.81 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.182 -0.949 . . . . 0.0 110.274 179.496 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.68 HD12 ' CE2' ' A' ' 19' ' ' PHE . 12.7 mt -76.79 1.61 16.82 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.073 -1.017 . . . . 0.0 109.906 -179.432 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.52 6.24 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.29 -0.881 . . . . 0.0 108.904 179.785 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 54.1 20.08 2.37 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.46 -0.775 . . . . 0.0 109.481 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -133.57 146.15 50.73 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.288 -0.883 . . . . 0.0 109.295 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' C ' ' HZ1' ' A' ' 10' ' ' LYS . 7.3 mt-10 -92.34 125.32 36.95 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.286 -0.884 . . . . 0.0 109.423 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -136.97 162.84 32.19 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.304 -0.872 . . . . 0.0 109.529 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.8 m -119.27 97.79 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.324 -0.86 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.36 133.72 42.37 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.249 -0.907 . . . . 0.0 108.991 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.1 158.74 10.66 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.107 -0.995 . . . . 0.0 109.364 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' A' ' 87' ' ' PHE . 92.2 mt -79.86 -168.41 1.6 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.205 -0.935 . . . . 0.0 109.593 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.0 mt -68.44 157.69 35.3 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.289 -0.882 . . . . 0.0 109.398 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 59.4 15.37 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.26 -0.9 . . . . 0.0 109.47 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 19.3 m-85 -132.0 118.59 19.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.382 -0.824 . . . . 0.0 109.491 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -97.42 -173.69 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -120.49 121.72 39.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.502 -0.749 . . . . 0.0 109.61 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.79 97.56 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.334 -0.854 . . . . 0.0 109.297 179.72 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.37 -98.1 1.62 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -134.13 8.4 3.74 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.227 -1.16 . . . . 0.0 109.267 179.785 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.37 122.05 25.69 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.31 -0.869 . . . . 0.0 109.338 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.88 143.09 52.9 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.123 -0.986 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.9 m -123.81 178.37 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 O-C-N 121.124 -0.985 . . . . 0.0 109.494 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.09 134.1 42.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.234 -0.916 . . . . 0.0 109.38 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.472 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.7 t-20 -109.43 128.39 25.49 Favored Pre-proline 0 CA--C 1.536 0.418 0 O-C-N 121.331 -0.856 . . . . 0.0 109.362 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.5 Cg_endo -90.73 -15.99 1.63 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.662 3.575 . . . . 0.0 110.041 179.662 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -148.99 85.88 5.84 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 121.32 -0.862 . . . . 0.0 109.453 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -89.76 160.05 5.14 Favored 'Trans proline' 0 N--CA 1.477 0.539 1 C-N-CA 125.487 4.125 . . . . 0.0 110.102 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.511 ' HA ' HD11 ' A' ' 74' ' ' ILE . 9.6 t -152.21 -168.25 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.13 -0.981 . . . . 0.0 109.825 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.7 m -104.2 -20.63 13.74 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.284 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.0 -13.1 22.56 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' CD ' ' H ' ' A' ' 48' ' ' THR . 2.0 mt-10 -75.13 52.07 0.56 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.18 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 4.5 p-10 42.03 59.91 2.43 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.299 0.571 . . . . 0.0 109.909 -178.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.537 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.5 OUTLIER 67.0 55.89 0.69 Allowed 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -179.48 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.11 -49.7 15.27 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.9 -13.07 78.59 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.537 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.17 151.57 28.05 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.051 -1.264 . . . . 0.0 110.563 -179.507 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.62 -94.3 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 O-C-N 121.374 -0.829 . . . . 0.0 109.722 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.81 -27.29 0.49 Allowed 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.08 -13.83 10.56 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.174 -0.954 . . . . 0.0 109.607 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.79 139.19 53.2 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.165 -0.96 . . . . 0.0 109.38 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -69.51 132.25 45.99 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.132 -0.98 . . . . 0.0 109.6 -179.821 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.16 161.02 14.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.494 -0.754 . . . . 0.0 109.327 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.78 173.85 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.269 -0.894 . . . . 0.0 109.402 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -145.52 42.93 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.239 -0.913 . . . . 0.0 109.324 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -80.55 141.31 35.22 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.29 -0.881 . . . . 0.0 109.506 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -55.66 154.54 6.65 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.206 -0.934 . . . . 0.0 109.409 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.45 -26.16 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.239 -0.913 . . . . 0.0 109.411 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.81 82.51 1.51 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.8 m -137.17 -80.46 0.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.279 -1.13 . . . . 0.0 109.447 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -155.23 -81.35 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.269 -0.895 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.86 -111.87 2.85 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.65 177.37 4.78 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.171 -1.194 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -147.79 155.1 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.292 -0.88 . . . . 0.0 109.558 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -140.9 149.51 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 O-C-N 121.314 -0.867 . . . . 0.0 109.164 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.38 154.05 49.01 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.181 -0.949 . . . . 0.0 109.624 -179.774 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -160.61 134.53 7.04 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.234 -0.916 . . . . 0.0 109.547 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -144.88 138.98 27.35 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.313 -0.867 . . . . 0.0 109.125 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.02 126.34 35.38 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.183 -0.948 . . . . 0.0 109.246 -179.821 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 79' ' ' THR . 3.3 t -82.67 17.18 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.287 -0.883 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -89.23 169.05 13.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 O-C-N 121.299 -0.876 . . . . 0.0 109.28 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.405 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 10.1 Cg_endo -84.95 127.86 3.62 Favored 'Trans proline' 0 N--CA 1.477 0.55 0 C-N-CA 124.868 3.712 . . . . 0.0 109.275 179.323 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER 72.81 -52.71 0.71 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.881 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.3 OUTLIER 61.08 158.87 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.468 -0.77 . . . . 0.0 110.092 179.264 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 83' ' ' SER . 54.7 m-85 -151.31 99.44 3.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 O-C-N 121.389 -0.819 . . . . 0.0 108.841 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.563 ' O ' HD23 ' A' ' 86' ' ' LEU . 9.4 Cg_endo -87.29 163.94 8.34 Favored 'Trans proline' 0 N--CA 1.478 0.594 0 C-N-CA 125.189 3.926 . . . . 0.0 110.464 -179.455 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 85' ' ' PRO . 47.6 mt -125.66 -13.09 6.54 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.292 -0.88 . . . . 0.0 109.599 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD2' HD22 ' A' ' 31' ' ' LEU . 98.8 m-85 -146.45 -13.67 0.45 Allowed 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.135 -0.978 . . . . 0.0 109.802 -179.707 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 166.64 -50.43 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.43 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . 178.43 5.97 0.02 OUTLIER Glycine 0 CA--C 1.529 0.939 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.894 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.748 HD12 ' CE1' ' A' ' 91' ' ' PHE . 0.4 OUTLIER -83.88 2.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 O-C-N 121.348 -1.089 . . . . 0.0 109.32 179.889 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.748 ' CE1' HD12 ' A' ' 90' ' ' ILE . 37.1 m-85 -141.76 49.12 1.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.161 -0.962 . . . . 0.0 109.456 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.42 -171.05 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.133 -0.98 . . . . 0.0 109.92 -179.845 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.419 ' HB2' ' CD2' ' A' ' 5' ' ' HIS . 0.0 OUTLIER 175.1 162.56 0.24 Allowed 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.328 -0.857 . . . . 0.0 109.164 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.14 156.95 17.61 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.159 -0.963 . . . . 0.0 109.605 -179.833 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.16 165.8 10.85 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.304 -0.873 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 54.1 t30 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.959 -1.02 . . . . 0.0 109.497 179.98 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 CA--C 1.53 0.185 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.9 mm -67.11 96.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 O-C-N 121.184 -0.948 . . . . 0.0 109.464 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.52 10.54 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.22 -0.925 . . . . 0.0 109.37 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -65.4 -79.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.224 -0.923 . . . . 0.0 109.448 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.461 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -158.45 -2.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.207 -0.933 . . . . 0.0 109.519 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.402 ' H ' ' H ' ' A' ' 5' ' ' HIS . 7.7 mp0 -55.22 -72.05 0.07 Allowed 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.232 -0.918 . . . . 0.0 109.158 179.819 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 p 175.4 -102.77 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.04 -1.038 . . . . 0.0 109.199 179.59 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.646 HG21 ' HD3' ' A' ' 25' ' ' ARG . 50.7 t -145.25 -77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 O-C-N 121.045 -1.034 . . . . 0.0 109.442 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -155.97 -3.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -63.57 129.62 40.95 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.194 -0.941 . . . . 0.0 109.289 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -97.9 116.51 30.26 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.268 -0.895 . . . . 0.0 109.583 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -95.87 174.69 3.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.25 -0.906 . . . . 0.0 109.272 179.785 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -89.44 163.62 5.44 Favored 'Trans proline' 0 N--CA 1.477 0.5 1 C-N-CA 125.53 4.153 . . . . 0.0 110.336 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -54.78 174.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.305 -0.872 . . . . 0.0 109.422 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.849 ' HA ' HD12 ' A' ' 31' ' ' LEU . 4.6 m120 58.63 16.7 4.5 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.206 -0.934 . . . . 0.0 109.304 -179.835 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.9 t -168.3 121.8 0.88 Allowed 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.126 -0.984 . . . . 0.0 110.136 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.17 -148.97 16.76 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.267 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -142.2 143.52 32.97 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.004 -1.292 . . . . 0.0 109.827 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.461 ' CZ ' ' CD2' ' A' ' 5' ' ' HIS . 24.5 t80 -148.67 168.61 22.4 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 121.061 -1.024 . . . . 0.0 109.758 179.061 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.527 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 8.0 mtp180 -114.93 121.18 42.39 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 178.906 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.453 ' CG ' ' HG3' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -77.03 39.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 120.535 -1.353 . . . . 0.0 109.375 -179.637 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.708 HD11 ' OD1' ' A' ' 59' ' ' ASP . 2.2 mt 66.81 2.65 2.7 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.833 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 21' ' ' HIS . 13.6 p-10 -96.4 35.5 1.47 Allowed 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.736 -0.602 . . . . 0.0 109.617 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 71.09 -38.4 0.42 Allowed 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.5 -0.75 . . . . 0.0 110.782 179.553 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.646 ' HD3' HG21 ' A' ' 8' ' ' VAL . 2.8 mtt180 -162.97 113.11 1.4 Allowed 'General case' 0 C--N 1.333 -0.143 0 O-C-N 120.786 -1.196 . . . . 0.0 110.607 -179.693 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.527 ' HB2' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -91.97 -89.55 0.18 Allowed 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.048 -1.033 . . . . 0.0 109.852 179.312 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' H ' ' HB3' ' A' ' 26' ' ' GLU . 1.6 mt-10 166.35 -174.02 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 -179.681 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.3 m -77.41 113.58 15.35 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.431 -0.793 . . . . 0.0 109.211 179.609 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -105.35 140.75 38.01 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.217 -0.927 . . . . 0.0 108.988 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 2.8 m -60.78 161.04 8.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.076 -1.015 . . . . 0.0 109.555 -179.755 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.849 HD12 ' HA ' ' A' ' 15' ' ' ASN . 20.5 mt -78.7 -166.05 0.82 Allowed 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.196 -0.94 . . . . 0.0 109.653 -179.778 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.881 HD12 HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -70.6 156.65 39.16 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.258 -0.901 . . . . 0.0 109.678 -179.885 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 57.73 16.43 3.5 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.362 -0.836 . . . . 0.0 109.5 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 16.6 m-85 -129.52 117.79 21.04 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.405 -0.809 . . . . 0.0 109.135 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 5.3 ptmt -97.88 -175.1 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.257 -0.902 . . . . 0.0 109.339 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -127.47 132.63 49.98 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.553 -0.717 . . . . 0.0 109.445 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -139.28 74.01 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.281 -0.887 . . . . 0.0 109.389 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.58 -99.38 1.29 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -133.48 6.83 3.82 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.276 -1.132 . . . . 0.0 109.344 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -134.19 127.15 31.38 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.371 -0.83 . . . . 0.0 109.35 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.3 m -79.07 144.13 34.9 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.2 -0.937 . . . . 0.0 109.392 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.401 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 22.5 m -121.43 179.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.203 -0.936 . . . . 0.0 109.426 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.51 122.98 22.22 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.232 -0.918 . . . . 0.0 109.689 -179.92 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 14.4 t-20 -100.54 115.73 65.07 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 121.347 -0.846 . . . . 0.0 109.138 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 12.1 Cg_endo -89.08 -14.74 2.66 Favored 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 124.791 3.661 . . . . 0.0 110.36 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -131.11 89.15 42.89 Favored Pre-proline 0 CA--C 1.532 0.278 0 O-C-N 121.189 -0.944 . . . . 0.0 109.697 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -90.71 161.38 4.2 Favored 'Trans proline' 0 N--CA 1.478 0.568 1 C-N-CA 125.488 4.126 . . . . 0.0 109.792 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.866 HG21 ' CG ' ' A' ' 51' ' ' GLU . 14.4 t -140.93 -154.6 0.53 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.013 -1.055 . . . . 0.0 110.272 -179.498 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.487 ' N ' HG23 ' A' ' 48' ' ' THR . 21.4 m -152.92 -44.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.598 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -62.91 -8.47 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.408 -0.808 . . . . 0.0 109.437 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.866 ' CG ' HG21 ' A' ' 48' ' ' THR . 42.3 mm-40 -83.55 56.57 3.66 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.143 -0.973 . . . . 0.0 108.722 179.49 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 4.2 p-10 41.33 62.57 1.46 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.036 0.446 . . . . 0.0 110.512 -179.428 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.88 86.44 0.13 Allowed 'General case' 0 N--CA 1.464 0.232 0 O-C-N 121.557 -0.714 . . . . 0.0 109.8 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.44 -22.81 32.48 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 108.451 -1.86 . . . . 0.0 108.451 178.537 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.709 ' O ' HG22 ' A' ' 90' ' ' ILE . . . 160.66 11.0 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 107.546 -2.222 . . . . 0.0 107.546 -179.783 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.533 ' O ' ' O ' ' A' ' 57' ' ' ASP . 9.0 m -98.02 66.03 1.81 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 118.84 -1.144 . . . . 0.0 110.253 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.533 ' O ' ' O ' ' A' ' 56' ' ' CYS . 2.0 t0 39.12 119.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 122.335 1.064 . . . . 0.0 112.844 179.591 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.63 -17.69 0.56 Allowed 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.821 -1.175 . . . . 0.0 110.308 178.642 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.708 ' OD1' HD11 ' A' ' 22' ' ' LEU . 7.2 m-20 -104.71 -17.69 14.55 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 120.983 -1.073 . . . . 0.0 109.632 179.536 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.528 ' H ' ' HB3' ' A' ' 57' ' ' ASP . . . -83.61 141.65 31.39 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 121.125 -0.985 . . . . 0.0 109.378 179.787 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -72.04 126.39 29.66 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.241 -0.912 . . . . 0.0 109.412 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -86.55 140.7 29.64 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.195 -0.941 . . . . 0.0 109.375 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.1 142.21 40.21 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.222 -0.923 . . . . 0.0 109.634 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.22 13.17 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.274 -0.891 . . . . 0.0 109.496 -179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -53.74 154.4 3.85 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.359 -0.838 . . . . 0.0 109.619 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.46 153.7 5.36 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.307 -0.87 . . . . 0.0 109.568 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.403 ' H ' ' H ' ' A' ' 68' ' ' GLY . 5.2 p -161.73 -18.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.209 -0.932 . . . . 0.0 109.369 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 67' ' ' SER . . . 156.55 -169.41 33.91 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.02 -177.19 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.143 -1.21 . . . . 0.0 109.454 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.48 -37.9 5.1 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.289 -0.882 . . . . 0.0 109.444 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.56 -105.3 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.86 138.91 28.96 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.31 -1.112 . . . . 0.0 109.372 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.72 138.08 40.85 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.207 -0.933 . . . . 0.0 109.509 -179.898 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 mm -122.77 141.62 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 121.239 -0.913 . . . . 0.0 109.403 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 m -148.58 150.17 32.85 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.165 -0.959 . . . . 0.0 109.631 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.465 ' SG ' HD11 ' A' ' 32' ' ' LEU . 2.8 m -107.47 158.53 17.13 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.306 -0.872 . . . . 0.0 109.239 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -150.03 94.4 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.226 -0.921 . . . . 0.0 109.451 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.8 m -66.78 112.21 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.262 -0.898 . . . . 0.0 109.507 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 79' ' ' THR . 15.4 t -80.45 44.2 0.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.263 -0.898 . . . . 0.0 109.509 -179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -126.15 168.24 14.71 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.256 -0.903 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -85.01 -42.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.479 0.63 0 C-N-CA 125.063 3.842 . . . . 0.0 109.902 179.841 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.02 18.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.341 -0.85 . . . . 0.0 108.941 179.535 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.0 p -62.01 109.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.353 -0.842 . . . . 0.0 109.663 -179.837 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -135.07 70.49 69.72 Favored Pre-proline 0 C--N 1.327 -0.384 0 O-C-N 121.375 -0.828 . . . . 0.0 109.213 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -30.84 112.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.481 0.771 1 C-N-CA 126.199 4.599 . . . . 0.0 111.093 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.11 -19.98 59.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.252 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.509 ' CG ' HD22 ' A' ' 31' ' ' LEU . 54.8 m-85 -133.13 -107.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.536 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.48 29.77 7.78 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.584 -0.697 . . . . 0.0 109.963 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.65 -16.24 40.69 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 119.616 -1.278 . . . . 0.0 110.343 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.881 HG23 HD12 ' A' ' 32' ' ' LEU . 14.6 pt -55.0 -34.66 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 121.127 -1.22 . . . . 0.0 109.374 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.804 ' CE2' HD12 ' A' ' 90' ' ' ILE . 20.2 m-85 -135.74 125.36 25.28 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.317 -0.864 . . . . 0.0 109.502 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -109.86 137.43 47.67 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.323 -0.86 . . . . 0.0 109.363 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.86 54.16 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.204 -0.935 . . . . 0.0 109.687 -179.841 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.77 148.56 28.85 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.196 -0.94 . . . . 0.0 109.321 179.867 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.32 -61.69 1.71 Allowed 'General case' 0 CA--C 1.53 0.212 0 O-C-N 121.187 -0.945 . . . . 0.0 109.508 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.451 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 mm 57.81 45.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 O-C-N 121.249 -0.907 . . . . 0.0 109.427 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -130.04 50.79 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.302 -0.874 . . . . 0.0 109.534 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -150.23 -45.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.261 -0.899 . . . . 0.0 109.377 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -19.88 14.43 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.271 -0.893 . . . . 0.0 109.269 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.25 -11.87 17.32 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.31 -0.869 . . . . 0.0 109.284 179.813 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.71 151.14 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.451 -0.781 . . . . 0.0 109.517 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.827 HG12 ' H ' ' A' ' 9' ' ' LYS . 2.0 t -60.87 -159.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 121.29 -0.881 . . . . 0.0 110.518 -178.78 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.827 ' H ' HG12 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -80.33 60.9 3.93 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.169 -0.957 . . . . 0.0 109.347 -179.818 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.497 ' HZ3' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -66.54 -144.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.418 -0.801 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.72 101.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.142 -0.974 . . . . 0.0 109.658 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.2 m -117.35 170.82 5.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 121.255 -0.903 . . . . 0.0 109.079 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -88.9 165.28 5.95 Favored 'Trans proline' 0 N--CA 1.478 0.59 1 C-N-CA 125.433 4.089 . . . . 0.0 110.466 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -54.71 168.99 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.241 -0.912 . . . . 0.0 109.439 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.786 ' HA ' HD12 ' A' ' 31' ' ' LEU . 5.5 m120 55.15 34.79 23.38 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.289 -0.882 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -167.15 120.21 0.96 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.268 -0.895 . . . . 0.0 109.669 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.6 173.51 26.02 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.56 161.33 24.83 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.357 -1.084 . . . . 0.0 109.712 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 10.0 t80 -170.22 107.28 0.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.267 -0.896 . . . . 0.0 109.333 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 20.5 ttp85 -105.93 81.03 1.6 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.198 -0.939 . . . . 0.0 109.559 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' A' ' 94' ' ' SER . 88.8 m-70 -154.31 -177.16 6.26 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.201 -0.937 . . . . 0.0 110.138 -179.885 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 22' ' ' LEU . 5.1 mt 71.5 -47.18 0.66 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.066 0.46 . . . . 0.0 110.158 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.45 14.88 13.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.285 -0.885 . . . . 0.0 108.645 179.703 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 55.23 19.66 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.476 -0.765 . . . . 0.0 109.222 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HB3' HH11 ' A' ' 25' ' ' ARG . 0.1 OUTLIER -128.7 160.31 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.332 -0.855 . . . . 0.0 108.972 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CB ' ' HZ3' ' A' ' 10' ' ' LYS . 43.0 mt-10 -75.04 143.68 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.205 -0.934 . . . . 0.0 109.815 -179.654 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -152.91 162.25 41.53 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.298 -0.876 . . . . 0.0 109.117 179.769 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.8 m -112.2 112.56 24.25 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.15 -0.969 . . . . 0.0 109.479 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -104.24 139.59 39.04 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.1 m -57.99 165.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 120.91 -1.119 . . . . 0.0 109.72 -179.399 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 15' ' ' ASN . 17.1 mt -76.92 -165.27 0.53 Allowed 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.282 -0.886 . . . . 0.0 109.921 -179.441 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.581 HD12 ' HB2' ' A' ' 88' ' ' ASP . 5.4 mt -71.17 154.94 41.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.313 -0.867 . . . . 0.0 109.629 -179.802 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 56.05 18.78 3.32 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.226 -0.921 . . . . 0.0 109.53 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 13.8 m-85 -126.2 117.42 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.244 -0.91 . . . . 0.0 109.316 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -103.32 -174.66 2.6 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.269 -0.894 . . . . 0.0 109.312 179.786 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -103.93 140.42 37.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.584 -0.697 . . . . 0.0 109.514 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' OE1' HG11 ' A' ' 42' ' ' VAL . 2.1 tt0 -151.88 102.9 2.87 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.194 -0.941 . . . . 0.0 109.347 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.8 -95.46 0.91 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.34 -3.15 2.18 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.312 -1.111 . . . . 0.0 109.444 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.69 134.95 49.59 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.229 -0.92 . . . . 0.0 109.007 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.3 m -69.96 140.25 52.97 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.12 -0.987 . . . . 0.0 109.362 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG11 ' OE1' ' A' ' 37' ' ' GLU . 22.2 m -111.43 175.37 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 O-C-N 121.154 -0.966 . . . . 0.0 109.807 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.29 134.48 34.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.566 -0.709 . . . . 0.0 109.709 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.435 HD21 ' C ' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -122.14 120.04 28.44 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 121.297 -0.877 . . . . 0.0 109.251 179.786 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -89.31 -16.53 2.1 Favored 'Trans proline' 0 N--CA 1.478 0.616 0 C-N-CA 124.698 3.599 . . . . 0.0 110.201 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.435 ' C ' HD21 ' A' ' 44' ' ' ASN . 1.3 p-10 -127.36 85.93 59.79 Favored Pre-proline 0 CA--C 1.531 0.238 0 O-C-N 121.25 -0.906 . . . . 0.0 109.296 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -88.88 173.96 4.03 Favored 'Trans proline' 0 N--CA 1.478 0.562 1 C-N-CA 125.352 4.035 . . . . 0.0 110.23 -179.846 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.586 HG23 ' N ' ' A' ' 49' ' ' CYS . 10.1 t -151.57 -134.31 0.06 Allowed 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.157 -0.964 . . . . 0.0 109.863 -179.774 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.586 ' N ' HG23 ' A' ' 48' ' ' THR . 13.3 m -145.38 -42.95 0.22 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.345 -0.847 . . . . 0.0 108.872 -179.672 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -65.83 -0.55 2.29 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.562 -0.711 . . . . 0.0 109.523 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.541 ' HG2' HG21 ' A' ' 48' ' ' THR . 72.5 mm-40 -95.7 56.96 1.82 Allowed 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.206 -0.934 . . . . 0.0 108.693 179.542 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 52' ' ' ASN . 4.1 p-10 41.39 69.48 0.34 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.183 0.516 . . . . 0.0 110.651 -179.452 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 3.4 t-20 59.98 87.49 0.08 Allowed 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.322 -0.862 . . . . 0.0 108.931 179.785 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -88.04 39.17 3.12 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 107.962 -2.055 . . . . 0.0 107.962 178.565 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.428 ' O ' HG23 ' A' ' 90' ' ' ILE . . . 128.51 -15.2 6.06 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 107.851 -2.1 . . . . 0.0 107.851 -178.848 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ASP . 35.1 m -111.29 113.63 26.24 Favored 'General case' 0 N--CA 1.463 0.175 0 O-C-N 121.534 -0.98 . . . . 0.0 108.985 179.308 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.455 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 33.4 t0 -29.48 138.83 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.378 0.608 . . . . 0.0 111.894 -179.157 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.88 -29.61 42.36 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.52 -0.738 . . . . 0.0 109.114 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.62 -13.89 33.49 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.468 -0.77 . . . . 0.0 109.172 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.412 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -90.74 156.72 17.87 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 121.184 -0.948 . . . . 0.0 109.729 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.428 ' CD ' ' H ' ' A' ' 62' ' ' CYS . 0.0 OUTLIER -79.05 167.9 20.42 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.35 -0.843 . . . . 0.0 109.517 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.428 ' H ' ' CD ' ' A' ' 61' ' ' LYS . 53.3 t -138.44 137.31 37.09 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.273 -0.892 . . . . 0.0 109.431 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -125.57 139.76 53.32 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.21 -0.931 . . . . 0.0 109.407 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.92 1.32 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.415 -0.803 . . . . 0.0 109.364 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' H ' ' CD ' ' A' ' 65' ' ' GLU . 1.4 mp0 -66.41 83.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.451 -0.781 . . . . 0.0 109.723 -179.703 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.2 t0 52.04 -119.02 1.39 Allowed 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.392 -0.817 . . . . 0.0 109.978 179.556 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t 65.69 52.88 1.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.22 -0.925 . . . . 0.0 109.425 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.64 -140.0 10.92 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.427 ' H ' ' HG3' ' A' ' 73' ' ' LYS . 12.7 t -164.36 -123.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.288 -1.125 . . . . 0.0 109.438 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 t30 60.02 19.61 8.75 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.237 -0.914 . . . . 0.0 109.392 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.16 -58.4 5.04 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 114.88 13.15 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.256 -1.144 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HG3' ' H ' ' A' ' 69' ' ' SER . 2.3 mmtt -111.63 125.26 53.75 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.27 -0.894 . . . . 0.0 109.467 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.476 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.8 OUTLIER -122.37 118.54 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 O-C-N 121.22 -0.925 . . . . 0.0 109.318 179.915 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.19 154.79 21.87 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.237 -0.914 . . . . 0.0 109.646 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.9 m -121.34 140.16 52.47 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.289 -0.882 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -140.19 107.28 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.155 -0.966 . . . . 0.0 109.51 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.03 104.5 8.63 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.264 -0.898 . . . . 0.0 109.242 179.842 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 79' ' ' THR . 13.8 t -76.12 44.76 0.33 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.258 -0.901 . . . . 0.0 109.566 -179.737 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -121.81 168.69 10.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.208 -0.932 . . . . 0.0 109.237 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -87.11 -46.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 125.167 3.912 . . . . 0.0 109.844 179.813 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -82.88 19.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.387 -0.821 . . . . 0.0 108.79 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 t -56.6 110.79 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.532 -0.73 . . . . 0.0 109.45 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -141.59 70.17 25.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 O-C-N 121.321 -0.862 . . . . 0.0 109.21 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -31.08 122.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.766 1 C-N-CA 126.168 4.578 . . . . 0.0 111.078 -179.879 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.542 HD12 ' CB ' ' A' ' 91' ' ' PHE . 29.1 mt -79.75 -2.88 45.09 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.215 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.555 ' CB ' HD11 ' A' ' 90' ' ' ILE . 82.4 m-85 -151.93 -110.92 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.581 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -110.01 24.35 13.13 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.675 179.54 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.93 55.14 0.79 Allowed Glycine 0 CA--C 1.53 1.003 0 C-N-CA 119.707 -1.235 . . . . 0.0 110.208 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.555 HD11 ' CB ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -128.0 -18.56 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 O-C-N 121.131 -1.217 . . . . 0.0 109.221 179.339 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.542 ' CB ' HD12 ' A' ' 86' ' ' LEU . 32.1 m-85 -137.66 57.6 1.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.325 -0.859 . . . . 0.0 109.508 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.0 m -62.03 -164.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.148 -0.97 . . . . 0.0 109.393 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.03 134.4 40.11 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.22 -0.925 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.423 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 13.0 p -61.3 -173.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.882 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -77.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.266 -0.896 . . . . 0.0 109.5 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.429 179.981 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.3 mm -104.16 89.95 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 121.313 -0.867 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -115.05 34.41 4.86 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.1 -1.0 . . . . 0.0 109.482 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.409 ' C ' ' H ' ' A' ' 6' ' ' GLN . 3.8 tt0 -154.52 142.59 20.25 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.206 -0.934 . . . . 0.0 109.367 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.53 ' HA ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER 69.73 -8.64 0.76 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.489 -0.757 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' ' 4' ' ' GLN . 0.7 OUTLIER -63.92 89.61 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.036 -1.04 . . . . 0.0 109.579 179.792 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.5 m -80.06 164.46 23.38 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.308 -0.87 . . . . 0.0 109.384 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.48 -126.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 O-C-N 121.173 -0.954 . . . . 0.0 109.434 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -69.6 -88.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.167 -0.958 . . . . 0.0 109.329 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? 57.35 -166.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.232 -0.917 . . . . 0.0 109.399 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -154.14 76.84 1.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.167 -0.958 . . . . 0.0 109.523 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.3 m -89.77 116.1 65.52 Favored Pre-proline 0 CA--C 1.538 0.494 0 O-C-N 121.236 -0.915 . . . . 0.0 109.28 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -87.13 177.43 3.93 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 124.433 3.422 . . . . 0.0 110.453 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.75 177.15 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.254 -0.904 . . . . 0.0 109.552 -179.877 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 56.8 19.06 4.16 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.278 -0.889 . . . . 0.0 109.404 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t -173.58 128.18 0.42 Allowed 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.211 -0.931 . . . . 0.0 109.449 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.06 163.32 12.92 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.32 161.69 30.2 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.291 -1.123 . . . . 0.0 109.669 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -167.28 116.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.28 -0.887 . . . . 0.0 109.328 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.53 ' H ' ' HA ' ' A' ' 5' ' ' HIS . 1.3 ttt180 -68.26 113.37 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.297 -0.877 . . . . 0.0 109.048 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.32 140.41 27.12 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.361 -0.837 . . . . 0.0 109.542 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.696 ' H ' HD12 ' A' ' 22' ' ' LEU . 6.4 mp -65.15 -5.02 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.347 -0.846 . . . . 0.0 109.498 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.75 32.95 2.68 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.224 -0.922 . . . . 0.0 109.306 179.722 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 63.09 24.84 14.67 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.22 -0.925 . . . . 0.0 109.55 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -112.8 176.5 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.21 -0.931 . . . . 0.0 109.11 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -136.47 123.12 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.21 -0.931 . . . . 0.0 109.474 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.27 161.92 41.85 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.291 -0.881 . . . . 0.0 109.507 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 m -102.35 115.21 30.08 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.312 -0.867 . . . . 0.0 109.359 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -93.3 139.85 30.19 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.177 -0.952 . . . . 0.0 108.927 179.641 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.9 m -56.14 163.49 1.57 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.133 -0.98 . . . . 0.0 109.421 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.516 HD22 ' CD2' ' A' ' 87' ' ' PHE . 69.4 mt -82.95 -169.16 2.37 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' CD1' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -70.25 156.89 38.64 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.205 -0.934 . . . . 0.0 109.453 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 m120 60.55 14.71 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.26 -0.9 . . . . 0.0 109.287 -179.716 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 12.7 m-85 -129.74 117.28 20.04 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.474 -0.766 . . . . 0.0 109.285 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -103.4 -170.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.326 -0.858 . . . . 0.0 109.349 179.899 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -109.45 142.78 39.97 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.657 -0.652 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -154.7 68.56 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.269 -0.895 . . . . 0.0 109.483 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.39 -111.34 3.68 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -119.73 8.72 11.23 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.291 -1.123 . . . . 0.0 109.481 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.81 133.64 27.24 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.295 -0.878 . . . . 0.0 109.212 179.799 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.3 m -70.62 138.04 50.46 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.147 -0.971 . . . . 0.0 109.396 -179.785 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.472 HG23 ' HG3' ' A' ' 35' ' ' LYS . 34.1 m -108.81 179.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 121.256 -0.902 . . . . 0.0 109.405 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -77.27 129.91 36.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.28 -0.887 . . . . 0.0 109.308 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 11.0 t-20 -94.31 113.04 59.84 Favored Pre-proline 0 CA--C 1.535 0.375 0 O-C-N 121.419 -0.8 . . . . 0.0 109.396 -179.845 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 11.8 Cg_endo -89.04 -15.4 2.5 Favored 'Trans proline' 0 N--CA 1.476 0.492 0 C-N-CA 124.852 3.701 . . . . 0.0 109.971 179.753 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -136.89 80.87 35.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 121.407 -0.808 . . . . 0.0 109.462 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -88.73 112.89 0.66 Allowed 'Trans proline' 0 N--CA 1.478 0.604 1 C-N-CA 125.422 4.082 . . . . 0.0 110.047 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.544 HG22 ' N ' ' A' ' 49' ' ' CYS . 53.1 m -103.51 164.5 11.62 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.275 -0.891 . . . . 0.0 109.696 -179.404 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.707 ' SG ' HD12 ' A' ' 74' ' ' ILE . 57.6 m -115.97 -35.66 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.303 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -66.38 -7.79 21.37 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.72 52.48 2.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.82 63.81 1.22 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.036 0.446 . . . . 0.0 111.173 -179.58 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.67 80.44 0.21 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.378 -0.826 . . . . 0.0 109.28 179.037 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.36 -55.88 24.54 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.496 ' O ' HG22 ' A' ' 90' ' ' ILE . . . -151.49 15.81 0.85 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 108.576 -1.81 . . . . 0.0 108.576 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.67 171.17 14.92 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 118.024 -1.47 . . . . 0.0 108.767 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.37 130.91 48.37 Favored 'General case' 0 C--O 1.225 -0.214 0 O-C-N 120.834 -1.166 . . . . 0.0 108.246 179.787 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.73 -35.64 56.26 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.688 -0.632 . . . . 0.0 110.045 -179.037 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.35 0.37 54.12 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.061 -1.024 . . . . 0.0 109.477 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.62 -179.16 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.366 -0.834 . . . . 0.0 109.987 -179.653 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -116.4 123.4 47.47 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.382 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.6 t -79.42 136.65 37.01 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.268 -0.895 . . . . 0.0 109.217 -179.786 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.47 151.99 39.98 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.206 -0.934 . . . . 0.0 109.692 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -131.63 14.87 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.313 -0.867 . . . . 0.0 109.159 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.89 -178.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.365 -0.835 . . . . 0.0 109.682 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.1 t0 56.45 17.48 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.373 -0.829 . . . . 0.0 109.761 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.87 -67.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.244 -0.91 . . . . 0.0 109.483 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.42 174.58 18.98 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.4 ' HB2' ' CD ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER 56.25 -165.73 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.23 -1.159 . . . . 0.0 109.48 -179.914 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.59 -47.2 5.44 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.269 -0.894 . . . . 0.0 109.546 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.24 -103.65 0.07 OUTLIER Glycine 0 CA--C 1.529 0.922 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' CD ' ' HB2' ' A' ' 69' ' ' SER . 0.0 OUTLIER 57.6 179.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.234 -1.156 . . . . 0.0 109.601 179.935 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -58.42 154.68 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.378 -0.826 . . . . 0.0 109.61 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.707 HD12 ' SG ' ' A' ' 49' ' ' CYS . 5.8 mm -130.44 136.41 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 O-C-N 121.371 -0.83 . . . . 0.0 109.206 -179.825 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.45 142.88 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.142 -0.974 . . . . 0.0 109.599 -179.855 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 57.4 m -96.7 160.01 14.61 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.282 -0.886 . . . . 0.0 109.409 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -143.6 101.04 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.346 -0.846 . . . . 0.0 109.108 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 125.85 29.97 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.25 -0.906 . . . . 0.0 109.109 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.441 HG23 ' H ' ' A' ' 79' ' ' THR . 0.1 OUTLIER -91.51 -5.85 53.49 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.245 -0.91 . . . . 0.0 109.716 -179.687 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 169.16 13.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 121.213 -0.929 . . . . 0.0 109.402 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.41 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 14.3 Cg_endo -89.56 -49.18 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.621 1 C-N-CA 125.319 4.013 . . . . 0.0 110.238 179.846 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.41 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -83.77 21.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.329 -0.857 . . . . 0.0 109.082 179.787 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.29 121.12 16.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.492 -0.755 . . . . 0.0 109.421 -179.849 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -140.87 75.09 25.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 121.35 -0.844 . . . . 0.0 109.406 -179.692 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -30.67 115.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.482 0.832 1 C-N-CA 126.097 4.531 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.528 HD11 ' CD2' ' A' ' 5' ' ' HIS . 24.6 mt -75.47 -38.73 59.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.52 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.516 ' CD2' HD22 ' A' ' 31' ' ' LEU . 6.8 m-85 -105.7 -104.01 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -121.4 26.95 8.57 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 121.771 -0.581 . . . . 0.0 109.643 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.15 -18.65 13.96 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 119.674 -1.25 . . . . 0.0 110.241 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.738 HD12 ' CE2' ' A' ' 91' ' ' PHE . 1.7 pt -61.51 -20.97 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 O-C-N 120.928 -1.337 . . . . 0.0 109.457 -179.723 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.738 ' CE2' HD12 ' A' ' 90' ' ' ILE . 18.9 m-85 -138.96 92.69 2.62 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.108 -0.995 . . . . 0.0 109.627 179.814 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 25.0 m -83.17 63.18 7.03 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.068 -1.02 . . . . 0.0 109.399 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.457 ' HB3' HD21 ' A' ' 86' ' ' LEU . 26.8 t -71.47 -148.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.197 -0.939 . . . . 0.0 109.544 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -121.88 134.04 54.87 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.242 -0.911 . . . . 0.0 109.427 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.4 -176.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.274 -0.891 . . . . 0.0 109.578 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.444 179.991 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.3 m120 . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 mm -80.12 86.63 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 O-C-N 121.21 -0.931 . . . . 0.0 109.355 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -91.66 164.74 13.63 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.318 -0.864 . . . . 0.0 109.428 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -64.5 -11.95 39.18 Favored 'General case' 0 C--N 1.332 -0.196 0 O-C-N 121.192 -0.943 . . . . 0.0 109.217 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.451 ' CG ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -63.58 -17.46 62.86 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.292 -0.88 . . . . 0.0 109.406 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.56 98.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.393 -0.817 . . . . 0.0 109.484 -179.836 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.4 m -72.23 152.48 42.18 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.327 -0.858 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 9' ' ' LYS . 11.2 t -78.06 -121.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.214 -0.929 . . . . 0.0 109.444 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' N ' HG12 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -76.66 58.42 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.256 -0.903 . . . . 0.0 109.488 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.95 -72.76 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.284 -0.885 . . . . 0.0 109.383 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 62.37 165.23 0.1 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.252 -0.905 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.12 158.86 0.69 Allowed Pre-proline 0 CA--C 1.534 0.35 0 O-C-N 121.117 -0.989 . . . . 0.0 109.648 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -31.1 152.41 0.02 OUTLIER 'Trans proline' 0 N--CA 1.483 0.87 1 C-N-CA 126.486 4.791 . . . . 0.0 111.739 -178.917 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.79 177.84 2.88 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 121.393 -0.817 . . . . 0.0 109.126 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m120 56.74 21.65 6.14 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -179.222 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 14.8 t -151.77 146.77 25.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.271 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.11 150.29 17.19 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.58 164.6 26.4 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.156 -1.203 . . . . 0.0 108.91 179.675 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 53.3 t80 -156.4 99.11 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.045 -1.035 . . . . 0.0 110.021 -179.36 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HA ' ' CB ' ' A' ' 26' ' ' GLU . 1.7 ttp180 -72.13 -111.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.284 -0.885 . . . . 0.0 108.859 179.142 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.504 ' CD2' ' CE1' ' A' ' 19' ' ' PHE . 15.5 m-70 58.44 -153.77 0.37 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.436 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 1.0 OUTLIER 58.73 12.22 2.13 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.372 -0.83 . . . . 0.0 109.507 -179.852 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.9 -42.1 0.3 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -162.69 12.31 0.07 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 121.14 -0.975 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . 2.4 mtp180 -112.19 116.66 30.81 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 120.864 -1.147 . . . . 0.0 109.73 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' CB ' ' HA ' ' A' ' 20' ' ' ARG . 2.0 mp0 -113.76 151.87 31.37 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.311 -0.868 . . . . 0.0 109.516 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -153.71 164.14 38.8 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.193 -0.942 . . . . 0.0 109.865 179.876 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -103.45 108.31 19.51 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.474 -0.766 . . . . 0.0 108.981 179.783 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.15 136.88 48.69 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.281 -0.887 . . . . 0.0 109.23 -179.563 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.417 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 3.5 m -54.34 159.06 2.11 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.179 -0.95 . . . . 0.0 109.929 -179.507 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.8 mt -75.98 -164.77 0.4 Allowed 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.396 -0.815 . . . . 0.0 109.971 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.592 ' HG ' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -70.68 154.75 41.56 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 121.398 -0.814 . . . . 0.0 110.009 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 59.72 12.52 2.98 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.479 -0.763 . . . . 0.0 109.924 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.416 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 23.5 m-85 -126.28 121.34 32.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.299 -0.875 . . . . 0.0 109.403 179.805 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -101.24 -170.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.311 -0.868 . . . . 0.0 108.964 179.372 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -119.93 130.87 55.01 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.569 -0.707 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -145.16 114.89 7.29 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.241 -0.912 . . . . 0.0 109.551 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.57 -102.23 1.09 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.8 13.3 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.271 -1.135 . . . . 0.0 109.435 -179.829 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -143.32 133.91 25.01 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.235 -0.916 . . . . 0.0 109.355 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.96 151.79 45.2 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.156 -0.965 . . . . 0.0 109.17 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.514 HG23 ' HG3' ' A' ' 35' ' ' LYS . 31.1 m -129.17 168.92 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 121.274 -0.891 . . . . 0.0 109.607 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -69.38 116.04 9.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.139 -0.976 . . . . 0.0 109.438 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 35' ' ' LYS . 7.0 t-20 -79.85 123.72 83.65 Favored Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 121.268 -0.895 . . . . 0.0 109.335 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -90.28 -15.58 1.91 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 124.705 3.603 . . . . 0.0 110.1 179.688 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -146.41 90.09 5.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 O-C-N 121.33 -0.856 . . . . 0.0 109.671 -179.918 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -89.15 132.64 2.29 Favored 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 125.284 3.989 . . . . 0.0 109.675 179.594 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.887 HG21 ' CG ' ' A' ' 51' ' ' GLU . 7.5 t -112.22 -162.33 0.79 Allowed 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.223 -0.923 . . . . 0.0 110.166 -179.305 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.446 ' N ' HG23 ' A' ' 48' ' ' THR . 61.1 m -151.5 -35.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.892 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -68.31 -1.49 6.4 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.887 ' CG ' HG21 ' A' ' 48' ' ' THR . 66.2 mm-40 -97.64 50.38 1.05 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.257 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 p30 41.6 72.79 0.15 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.715 -179.293 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.805 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER 70.66 81.6 0.16 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.755 0.788 . . . . 0.0 110.115 179.55 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.49 -58.07 16.49 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 178.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.634 ' O ' HG22 ' A' ' 90' ' ' ILE . . . -141.34 12.73 2.77 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.538 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.805 ' C ' HD22 ' A' ' 53' ' ' ASN . 36.0 m -77.8 -164.64 0.53 Allowed 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.916 -1.344 . . . . 0.0 109.255 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' HA ' ' O ' ' A' ' 90' ' ' ILE . 60.6 t0 -54.26 -98.65 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.318 -0.864 . . . . 0.0 110.201 179.442 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -161.93 -47.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.726 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -100.67 -9.84 21.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.814 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.38 168.15 15.02 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.676 -0.64 . . . . 0.0 109.672 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -99.96 119.54 38.4 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.302 -0.874 . . . . 0.0 109.207 179.707 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.3 t -79.68 140.48 37.01 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.234 -0.916 . . . . 0.0 109.481 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.73 148.26 52.49 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.282 -0.886 . . . . 0.0 109.163 179.739 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -141.99 -0.22 1.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.153 -0.967 . . . . 0.0 109.677 -179.808 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -74.59 71.87 1.9 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.08 -1.013 . . . . 0.0 109.503 -179.849 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.98 -173.68 3.79 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.183 -0.948 . . . . 0.0 109.439 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 t 176.1 168.27 0.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.209 -0.932 . . . . 0.0 109.478 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.62 29.3 1.18 Allowed Glycine 0 CA--C 1.529 0.936 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 t -138.5 -123.81 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.187 -1.184 . . . . 0.0 109.487 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -97.39 -82.77 0.41 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.301 -0.874 . . . . 0.0 109.442 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.27 -112.43 1.3 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.52 147.04 25.73 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.3 -1.118 . . . . 0.0 109.493 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 143.26 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.205 -0.934 . . . . 0.0 109.312 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.3 mm -139.94 116.43 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 121.228 -0.92 . . . . 0.0 109.616 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.75 158.52 21.73 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.24 -0.913 . . . . 0.0 109.206 179.776 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 92.2 m -130.64 111.46 12.23 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.202 -0.936 . . . . 0.0 109.558 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.17 91.73 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.164 -0.96 . . . . 0.0 108.773 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.04 137.25 34.35 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.172 -0.955 . . . . 0.0 110.629 -178.857 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 79' ' ' THR . 5.9 m -125.81 81.97 2.03 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.869 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -136.69 170.43 10.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.088 -1.007 . . . . 0.0 109.604 -179.709 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -92.83 139.42 1.74 Allowed 'Trans proline' 0 N--CA 1.477 0.529 1 C-N-CA 125.597 4.198 . . . . 0.0 110.235 179.691 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.78 3.87 2.69 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.217 -0.927 . . . . 0.0 109.598 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.422 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 11.9 m -95.98 135.44 37.74 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 121.214 -0.929 . . . . 0.0 108.814 179.826 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 83' ' ' SER . 16.3 m-85 -150.13 145.83 19.31 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 121.242 -0.911 . . . . 0.0 108.913 -179.602 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -35.36 100.76 0.03 OUTLIER 'Trans proline' 0 N--CA 1.483 0.911 1 C-N-CA 125.496 4.131 . . . . 0.0 109.741 179.609 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.451 HD11 ' CG ' ' A' ' 5' ' ' HIS . 80.9 mt -88.46 -20.25 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.227 -0.921 . . . . 0.0 110.027 -179.017 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.663 ' CD2' HD11 ' A' ' 90' ' ' ILE . 96.5 m-85 -143.69 -42.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.031 -1.043 . . . . 0.0 110.241 -179.349 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.41 15.33 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.272 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 138.87 -21.56 3.01 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 119.214 -1.469 . . . . 0.0 111.02 179.286 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.663 HD11 ' CD2' ' A' ' 87' ' ' PHE . 1.5 pt -63.26 -7.98 3.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 119.945 -1.915 . . . . 0.0 108.749 179.514 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 79.9 m-85 -154.47 93.26 1.57 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.827 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.52 -176.51 3.07 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.811 -1.18 . . . . 0.0 112.069 -177.342 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -105.26 -61.09 1.53 Allowed 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.547 179.608 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 m -170.58 48.59 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.442 -0.787 . . . . 0.0 109.452 -179.627 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.7 t -58.33 134.17 56.35 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.198 -0.939 . . . . 0.0 109.412 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.0 t30 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.41 179.955 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.538 ' O ' HG22 ' A' ' 2' ' ' ILE . 6.8 mm -113.77 88.22 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 121.298 -0.877 . . . . 0.0 109.423 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p -91.36 155.4 18.52 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.312 -0.867 . . . . 0.0 109.408 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.61 125.72 14.58 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.245 -0.909 . . . . 0.0 109.497 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.06 28.95 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.249 -0.907 . . . . 0.0 109.399 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -54.84 -87.27 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.228 -0.92 . . . . 0.0 109.384 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.68 -170.37 1.99 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.221 -0.925 . . . . 0.0 109.52 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.85 -45.76 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 O-C-N 121.275 -0.891 . . . . 0.0 109.631 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -171.57 99.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.186 -0.946 . . . . 0.0 109.668 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.13 158.12 27.05 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.318 -0.864 . . . . 0.0 109.414 179.843 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.94 158.51 18.65 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.253 -0.905 . . . . 0.0 109.495 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 4.8 t -157.12 142.12 12.26 Favored Pre-proline 0 CA--C 1.536 0.422 0 O-C-N 121.311 -0.868 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 21.5 Cg_endo -89.98 159.2 4.92 Favored 'Trans proline' 0 N--CA 1.479 0.632 0 C-N-CA 124.549 3.499 . . . . 0.0 110.344 179.652 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -55.6 175.64 0.08 Allowed 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.242 -0.911 . . . . 0.0 109.419 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.856 ' HA ' HD12 ' A' ' 31' ' ' LEU . 1.3 m-20 55.55 36.71 27.71 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.209 -0.932 . . . . 0.0 109.33 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -164.45 118.51 1.39 Allowed 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.252 -0.905 . . . . 0.0 109.568 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.35 156.03 22.02 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.41 154.77 20.93 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.102 -1.234 . . . . 0.0 109.555 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -163.97 134.44 4.3 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.284 -0.885 . . . . 0.0 109.412 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -74.61 147.04 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.234 -0.916 . . . . 0.0 109.174 179.847 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.53 ' C ' ' H ' ' A' ' 23' ' ' ASP . 6.1 m170 -77.48 13.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.168 -0.957 . . . . 0.0 109.647 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 21' ' ' HIS . 3.1 mm? 64.35 -10.09 0.15 Allowed 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.71 -0.619 . . . . 0.0 110.022 -179.119 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.53 ' H ' ' C ' ' A' ' 21' ' ' HIS . 35.1 p-10 -116.95 45.69 1.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.158 -0.964 . . . . 0.0 109.18 179.829 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 71.65 -42.14 0.52 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.739 -0.601 . . . . 0.0 110.063 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -61.85 145.65 52.05 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.008 -1.058 . . . . 0.0 109.509 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -121.18 138.79 54.05 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.231 -0.918 . . . . 0.0 109.129 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.63 178.03 7.9 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.146 -0.971 . . . . 0.0 109.658 -179.801 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.33 121.81 33.64 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.316 -0.865 . . . . 0.0 109.449 -179.893 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -104.2 137.7 41.74 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.23 -0.919 . . . . 0.0 108.904 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.5 m -54.34 162.3 1.12 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.199 -0.938 . . . . 0.0 109.638 -179.639 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 15' ' ' ASN . 16.5 mt -74.6 -166.8 0.48 Allowed 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.336 -0.852 . . . . 0.0 109.876 -179.481 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HG ' HG21 ' A' ' 90' ' ' ILE . 4.4 mt -71.56 155.55 40.42 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.293 -0.88 . . . . 0.0 109.408 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 m120 57.03 18.4 3.98 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.238 -0.914 . . . . 0.0 109.351 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.405 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 22.9 m-85 -128.71 118.88 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.358 -0.839 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -97.19 -171.33 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.265 -0.897 . . . . 0.0 109.219 179.783 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -133.53 129.69 37.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.549 -0.72 . . . . 0.0 109.345 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -138.64 95.21 2.94 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.232 -0.917 . . . . 0.0 109.496 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.09 -97.57 2.27 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.626 -1.389 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -138.8 13.16 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.252 -1.146 . . . . 0.0 109.57 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.47 130.03 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.224 -0.922 . . . . 0.0 109.5 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.1 m -77.13 151.72 35.24 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.314 -0.866 . . . . 0.0 109.514 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.43 HG23 ' HG3' ' A' ' 35' ' ' LYS . 31.7 m -132.35 177.84 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 121.129 -0.982 . . . . 0.0 109.24 179.765 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.48 115.99 15.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.093 -1.004 . . . . 0.0 109.374 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.428 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.3 t-20 -78.04 128.05 79.84 Favored Pre-proline 0 CA--C 1.535 0.374 0 O-C-N 121.334 -0.854 . . . . 0.0 109.339 -179.906 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 18.3 Cg_endo -90.93 -15.98 1.54 Allowed 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 124.721 3.614 . . . . 0.0 110.071 179.764 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.04 84.22 4.11 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.216 -0.927 . . . . 0.0 109.646 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -90.72 163.17 4.16 Favored 'Trans proline' 0 N--CA 1.476 0.494 1 C-N-CA 125.539 4.159 . . . . 0.0 109.921 179.778 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.492 HG22 ' CG ' ' A' ' 51' ' ' GLU . 10.7 t -163.03 -162.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.127 -0.983 . . . . 0.0 109.823 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.5 m -102.43 -25.07 13.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.381 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -13.42 20.57 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.003 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.492 ' CG ' HG22 ' A' ' 48' ' ' THR . 2.1 mt-10 -75.78 49.36 0.52 Allowed 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.208 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p30 41.24 61.99 1.62 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.102 0.477 . . . . 0.0 109.963 -178.952 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.408 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.8 OUTLIER 69.5 56.24 0.36 Allowed 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.145 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -46.2 12.37 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 179.796 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.52 -18.21 74.04 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.721 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.408 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.46 172.45 6.88 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.134 -1.215 . . . . 0.0 110.233 -179.893 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.391 -0.818 . . . . 0.0 109.501 179.91 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.53 -10.33 0.3 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.394 -0.816 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.41 -15.86 2.78 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.274 -0.891 . . . . 0.0 109.524 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.53 176.66 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.106 -0.996 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.14 121.75 42.38 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.156 -0.965 . . . . 0.0 109.433 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.4 t -90.67 149.32 22.12 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.31 -0.869 . . . . 0.0 109.515 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.75 150.11 35.63 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.248 -0.908 . . . . 0.0 109.526 -179.862 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -135.74 15.57 3.36 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.256 -0.903 . . . . 0.0 109.362 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.66 168.35 19.52 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.307 -0.871 . . . . 0.0 109.621 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 59.02 166.78 0.05 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.374 -0.829 . . . . 0.0 110.094 179.571 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.3 m -150.53 -170.41 3.65 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.238 -0.914 . . . . 0.0 109.382 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 165.9 -22.12 0.12 Allowed Glycine 0 CA--C 1.528 0.902 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.8 t -89.29 -149.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.207 -1.172 . . . . 0.0 109.377 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -110.89 -33.89 6.39 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.287 -0.883 . . . . 0.0 109.358 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.93 -113.26 3.36 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.53 136.9 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.307 -1.113 . . . . 0.0 109.48 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.81 145.16 24.78 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.199 -0.938 . . . . 0.0 109.244 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -137.68 116.01 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 121.195 -0.941 . . . . 0.0 109.601 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.07 177.75 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.325 -0.86 . . . . 0.0 109.318 179.892 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.31 162.25 40.12 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.239 -0.913 . . . . 0.0 110.149 -179.892 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -153.52 103.03 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.833 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -76.59 102.07 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.257 -0.902 . . . . 0.0 109.342 -179.716 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -77.33 42.62 0.35 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.272 -0.892 . . . . 0.0 109.671 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -122.31 168.36 11.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 121.218 -0.926 . . . . 0.0 109.295 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 11.2 Cg_endo -87.41 -44.49 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.581 0 C-N-CA 125.14 3.894 . . . . 0.0 110.08 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.403 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 2.8 m-20 -81.93 15.81 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.248 -0.908 . . . . 0.0 109.199 179.681 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.3 p -63.65 104.81 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.336 -0.852 . . . . 0.0 109.515 -179.855 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.517 ' H ' ' H ' ' A' ' 93' ' ' SER . 6.9 m-85 -127.01 69.57 73.56 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.273 -0.892 . . . . 0.0 109.228 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -32.2 150.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.481 0.741 1 C-N-CA 126.168 4.579 . . . . 0.0 110.807 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 91' ' ' PHE . 74.6 mt -117.9 -46.33 2.64 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.235 -0.915 . . . . 0.0 109.594 -179.87 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -108.82 -13.16 14.81 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.145 -0.972 . . . . 0.0 109.531 -179.758 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 166.82 -48.56 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.58 8.29 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.662 HD12 ' CE2' ' A' ' 91' ' ' PHE . 1.5 pt -89.23 17.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 O-C-N 121.23 -1.159 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.662 ' CE2' HD12 ' A' ' 90' ' ' ILE . 70.6 m-85 -154.2 37.89 0.44 Allowed 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.317 -0.864 . . . . 0.0 109.436 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.4 m -56.01 116.16 2.83 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.123 -0.985 . . . . 0.0 109.378 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.517 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -58.29 151.63 19.12 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.25 -0.906 . . . . 0.0 109.417 179.978 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.17 154.6 12.76 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.322 -0.861 . . . . 0.0 109.431 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -174.62 102.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.272 -0.893 . . . . 0.0 109.377 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.5 m120 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.018 -0.992 . . . . 0.0 109.399 -179.966 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 121.271 0.558 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 84' ' ' TYR . 8.0 mm -86.51 29.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 121.202 -0.936 . . . . 0.0 109.538 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.95 -151.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.229 -0.919 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 65.62 148.04 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.265 -0.897 . . . . 0.0 109.484 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.455 ' CE1' ' ND1' ' A' ' 21' ' ' HIS . 1.8 m-70 57.49 29.68 17.45 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.306 -0.871 . . . . 0.0 109.456 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -67.15 -108.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.298 -0.876 . . . . 0.0 109.347 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.02 162.35 0.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.334 -0.854 . . . . 0.0 109.012 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.757 HG11 HH11 ' A' ' 20' ' ' ARG . 0.9 OUTLIER -164.12 123.96 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 O-C-N 121.044 -1.035 . . . . 0.0 109.88 -179.681 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mttt 53.28 55.52 8.65 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.417 -0.802 . . . . 0.0 109.749 179.649 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -166.6 125.86 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.203 -0.936 . . . . 0.0 109.509 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -121.28 89.02 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.291 -0.881 . . . . 0.0 109.271 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.0 173.38 2.62 Favored Pre-proline 0 CA--C 1.532 0.258 0 O-C-N 121.161 -0.962 . . . . 0.0 108.874 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -89.36 165.34 5.45 Favored 'Trans proline' 0 N--CA 1.478 0.57 1 C-N-CA 125.343 4.028 . . . . 0.0 110.587 -179.827 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -57.05 175.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.319 -0.863 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.771 ' HA ' HD12 ' A' ' 31' ' ' LEU . 3.8 m120 55.25 26.33 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.192 -0.942 . . . . 0.0 109.282 -179.915 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.52 163.15 40.14 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.255 -0.903 . . . . 0.0 109.501 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.81 -168.94 11.95 Favored Glycine 0 CA--C 1.532 1.097 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.0 t -111.44 153.64 25.82 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.103 -1.233 . . . . 0.0 110.154 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.525 ' CE1' ' CD1' ' A' ' 91' ' ' PHE . 0.3 OUTLIER -148.51 106.47 3.71 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.754 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.757 HH11 HG11 ' A' ' 8' ' ' VAL . 29.9 ttp180 -128.96 85.3 2.31 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.11 -0.994 . . . . 0.0 110.413 -179.157 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.48 ' NE2' ' CZ ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 177.97 -179.61 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.56 -0.712 . . . . 0.0 109.384 179.065 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 mt 65.95 3.9 2.79 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.771 0.796 . . . . 0.0 109.694 -179.768 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' H ' ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -171.0 4.89 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.588 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.418 ' H ' ' H ' ' A' ' 23' ' ' ASP . 19.3 mt-10 51.64 23.62 2.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.245 0.545 . . . . 0.0 109.611 -179.905 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -110.8 169.56 8.68 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.23 -0.919 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' OE2' HG13 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -115.57 125.79 53.41 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.232 -0.918 . . . . 0.0 109.6 -179.808 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -145.63 159.36 43.26 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.233 -0.917 . . . . 0.0 109.672 179.831 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 69.7 m -109.9 126.79 54.23 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.384 -0.822 . . . . 0.0 109.275 179.77 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -107.19 176.34 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.22 -0.925 . . . . 0.0 108.76 179.695 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.419 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 4.1 m -98.36 158.71 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 120.995 -1.065 . . . . 0.0 108.757 179.474 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 15' ' ' ASN . 40.9 mt -73.77 -169.18 0.68 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.068 -1.02 . . . . 0.0 109.632 -179.582 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.795 ' HG ' HG22 ' A' ' 90' ' ' ILE . 2.1 mt -71.81 158.14 36.63 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.222 -0.924 . . . . 0.0 109.139 179.769 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 59.2 16.56 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.259 -0.9 . . . . 0.0 109.157 -179.757 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.408 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 14.1 m-85 -129.8 118.64 22.1 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.419 -0.8 . . . . 0.0 109.381 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.49 -174.31 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.192 -0.943 . . . . 0.0 109.169 179.574 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.82 148.81 26.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.524 -0.735 . . . . 0.0 109.581 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.62 ' OE1' HG11 ' A' ' 42' ' ' VAL . 52.7 tt0 -160.32 113.14 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.178 -0.951 . . . . 0.0 109.474 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.8 -92.63 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -139.07 -0.02 1.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.195 -1.179 . . . . 0.0 109.584 -179.84 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -129.29 133.98 47.73 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.22 -0.925 . . . . 0.0 109.529 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 55.6 m -70.73 137.81 50.0 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.211 -0.93 . . . . 0.0 109.235 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.62 HG11 ' OE1' ' A' ' 37' ' ' GLU . 21.5 m -110.34 179.35 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 121.204 -0.935 . . . . 0.0 109.674 -179.902 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.22 142.69 41.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.396 -0.815 . . . . 0.0 109.29 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.84 65.91 37.07 Favored Pre-proline 0 C--N 1.332 -0.175 0 O-C-N 121.242 -0.911 . . . . 0.0 109.707 -179.753 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -36.49 -31.17 0.1 OUTLIER 'Trans proline' 0 N--CA 1.481 0.756 1 C-N-CA 125.803 4.335 . . . . 0.0 110.407 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -128.72 98.72 24.21 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 121.332 -0.855 . . . . 0.0 109.549 -179.741 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -86.44 169.56 8.26 Favored 'Trans proline' 0 N--CA 1.481 0.737 0 C-N-CA 125.006 3.804 . . . . 0.0 109.964 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.789 HG21 ' HG3' ' A' ' 51' ' ' GLU . 12.5 t -152.53 -142.58 0.12 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.045 -1.035 . . . . 0.0 110.055 -179.605 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.593 ' N ' HG23 ' A' ' 48' ' ' THR . 73.2 m -148.94 -46.17 0.14 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.621 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -68.52 4.68 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.568 -0.708 . . . . 0.0 110.137 -179.534 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.789 ' HG3' HG21 ' A' ' 48' ' ' THR . 80.4 mt-10 -108.74 58.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.049 -1.032 . . . . 0.0 108.757 179.605 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.74 75.95 0.08 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.113 0.483 . . . . 0.0 110.092 -179.425 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.498 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER 63.75 92.14 0.07 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 122.386 1.089 . . . . 0.0 108.866 -179.608 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.472 ' HA3' ' H ' ' A' ' 48' ' ' THR . . . -87.77 24.3 10.99 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 107.928 -2.069 . . . . 0.0 107.928 179.595 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.464 ' O ' HD21 ' A' ' 32' ' ' LEU . . . 127.93 -5.08 6.94 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -178.902 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.498 ' C ' HD22 ' A' ' 53' ' ' ASN . 99.1 m -111.01 132.51 54.16 Favored 'General case' 0 CA--C 1.526 0.057 0 O-C-N 121.232 -1.158 . . . . 0.0 108.909 179.471 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 56' ' ' CYS . 0.0 OUTLIER -28.62 123.49 0.12 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.417 0.627 . . . . 0.0 111.431 -179.261 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.9 -26.91 39.05 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.321 -0.862 . . . . 0.0 109.896 -179.31 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.29 -4.58 51.5 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.276 -0.89 . . . . 0.0 109.223 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.435 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . . . -91.34 -179.32 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.325 -0.859 . . . . 0.0 110.026 -179.777 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -102.66 103.8 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.209 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.7 t -84.73 131.57 34.55 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.476 -0.765 . . . . 0.0 109.305 -179.633 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.87 147.01 46.24 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.123 -0.986 . . . . 0.0 109.834 -179.47 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.06 11.29 8.87 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.343 -0.848 . . . . 0.0 109.403 179.907 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -83.74 106.92 15.83 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.264 -0.898 . . . . 0.0 109.675 -179.799 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 58.72 167.44 0.05 Allowed 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.409 -0.807 . . . . 0.0 110.012 179.575 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.2 t -176.61 -81.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.077 -1.015 . . . . 0.0 109.464 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 148.79 -0.8 0.55 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.7 m -80.88 -171.51 3.21 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.242 -1.152 . . . . 0.0 109.436 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -116.69 -24.23 7.83 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.213 -0.929 . . . . 0.0 109.426 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.38 -104.98 2.03 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 151.22 22.14 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.214 -1.168 . . . . 0.0 109.421 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.0 104.94 15.17 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.284 -0.885 . . . . 0.0 109.387 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -145.45 135.79 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 O-C-N 121.372 -0.83 . . . . 0.0 109.404 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.4 145.83 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.214 -0.929 . . . . 0.0 109.664 -179.891 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 m -119.29 119.22 33.38 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.261 -0.899 . . . . 0.0 109.381 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -129.22 108.41 10.32 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 13.3 m -72.41 97.88 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.225 -0.922 . . . . 0.0 109.141 179.796 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 t -62.36 -10.78 12.31 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.234 -0.916 . . . . 0.0 109.494 -179.776 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 171.77 0.28 Allowed Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 121.171 -0.956 . . . . 0.0 109.731 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -92.03 137.07 1.75 Allowed 'Trans proline' 0 N--CA 1.476 0.45 1 C-N-CA 125.615 4.21 . . . . 0.0 109.626 179.505 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.01 12.98 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.061 -1.024 . . . . 0.0 108.878 -179.514 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.2 p -67.66 128.39 36.29 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.497 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 5.6 m-85 -141.99 101.41 5.84 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 121.191 -0.943 . . . . 0.0 109.288 -179.135 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.497 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 23.4 Cg_exo -32.4 116.55 0.08 OUTLIER 'Trans proline' 0 N--CA 1.483 0.887 1 C-N-CA 125.393 4.062 . . . . 0.0 111.212 -179.487 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.52 -48.08 61.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.062 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.727 ' CD1' HD11 ' A' ' 90' ' ' ILE . 62.9 m-85 -103.95 -117.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.544 ' HB3' HD12 ' A' ' 32' ' ' LEU . 25.8 t0 -106.82 32.24 4.71 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.422 -0.799 . . . . 0.0 109.485 179.356 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.75 15.21 13.67 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 119.613 -1.279 . . . . 0.0 110.288 179.5 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.795 HG22 ' HG ' ' A' ' 32' ' ' LEU . 1.4 pt -88.11 -27.49 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 120.847 -1.384 . . . . 0.0 109.125 179.811 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.525 ' CD1' ' CE1' ' A' ' 19' ' ' PHE . 21.7 m-85 -130.19 175.12 9.17 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.678 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.4 m -138.67 124.7 20.05 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.9 -1.125 . . . . 0.0 109.324 179.812 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.41 ' H ' ' H ' ' A' ' 84' ' ' TYR . 5.8 t -55.73 -82.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.235 -0.916 . . . . 0.0 109.436 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.3 t 63.63 51.11 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.043 -1.036 . . . . 0.0 109.47 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.42 175.77 3.82 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.227 -0.921 . . . . 0.0 109.464 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.986 -1.006 . . . . 0.0 109.534 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -60.76 -48.71 80.58 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.257 -0.902 . . . . 0.0 109.291 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 66.03 144.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.292 -0.88 . . . . 0.0 109.45 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.3 p -179.79 101.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.163 -0.961 . . . . 0.0 109.517 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 175.08 -41.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.296 -0.878 . . . . 0.0 109.427 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -98.04 -155.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.31 -0.869 . . . . 0.0 109.305 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -143.26 136.0 27.59 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.046 -1.034 . . . . 0.0 109.987 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 t -116.31 137.26 23.37 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -86.34 176.51 4.92 Favored 'Trans proline' 0 N--CA 1.484 0.933 0 C-N-CA 124.394 3.396 . . . . 0.0 110.955 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -59.85 169.91 1.3 Allowed 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.328 -0.858 . . . . 0.0 109.28 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.856 ' HA ' HD12 ' A' ' 31' ' ' LEU . 57.5 m-20 54.54 25.39 6.2 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 5.0 m -160.38 147.33 15.83 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.588 -0.695 . . . . 0.0 109.501 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.07 163.82 22.29 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.82 162.9 15.26 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.235 -1.156 . . . . 0.0 109.617 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 46.8 t80 -168.02 137.34 2.52 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.229 -0.919 . . . . 0.0 109.537 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 110.32 19.66 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.248 -0.907 . . . . 0.0 109.139 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.579 ' CE1' ' HE ' ' A' ' 25' ' ' ARG . 11.4 m-70 -54.35 142.14 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.319 -0.863 . . . . 0.0 109.584 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.966 ' H ' HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -66.69 -6.97 17.66 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.421 -0.8 . . . . 0.0 109.151 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.97 23.11 6.69 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.3 -0.875 . . . . 0.0 109.421 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 65.58 57.07 0.89 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.197 -0.939 . . . . 0.0 109.636 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.579 ' HE ' ' CE1' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -150.95 128.19 11.25 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.223 -0.923 . . . . 0.0 109.249 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -89.84 127.78 36.05 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.18 -0.95 . . . . 0.0 109.437 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.87 168.34 23.26 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.252 -0.905 . . . . 0.0 109.603 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.3 115.43 22.31 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' NZ ' HD21 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -102.14 143.38 32.02 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.286 -0.884 . . . . 0.0 109.63 -179.112 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 2.8 m -60.78 152.38 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.197 -0.94 . . . . 0.0 109.899 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 15' ' ' ASN . 36.8 mt -59.96 -165.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.542 -0.723 . . . . 0.0 110.053 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.37 162.22 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.38 -0.825 . . . . 0.0 109.731 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 58.07 15.47 3.23 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.344 -0.847 . . . . 0.0 109.711 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.403 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 20.7 m-85 -124.57 165.07 18.49 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.249 -0.907 . . . . 0.0 109.417 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -150.71 -172.22 4.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -112.07 143.64 42.75 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.521 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -166.81 86.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.255 -0.903 . . . . 0.0 109.53 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.72 -113.66 4.75 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.42 11.69 8.68 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.28 -1.129 . . . . 0.0 109.44 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -146.18 142.62 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.327 -0.858 . . . . 0.0 109.148 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 77.7 m -73.3 145.23 46.19 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.224 -0.923 . . . . 0.0 109.372 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.464 HG23 ' HG3' ' A' ' 35' ' ' LYS . 35.1 m -121.17 173.55 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 121.194 -0.941 . . . . 0.0 109.819 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.85 148.21 52.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.248 -0.908 . . . . 0.0 109.528 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.93 68.49 25.37 Favored Pre-proline 0 CA--C 1.531 0.218 0 O-C-N 121.34 -0.85 . . . . 0.0 109.816 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -35.52 -33.34 0.1 Allowed 'Trans proline' 0 N--CA 1.482 0.802 1 C-N-CA 125.815 4.343 . . . . 0.0 110.474 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.0 93.01 13.7 Favored Pre-proline 0 CA--C 1.533 0.303 0 O-C-N 121.342 -0.849 . . . . 0.0 109.441 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -90.2 148.19 4.53 Favored 'Trans proline' 0 N--CA 1.477 0.541 1 C-N-CA 125.362 4.042 . . . . 0.0 110.347 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 t -134.2 -167.07 1.9 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.239 -0.913 . . . . 0.0 109.45 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -111.66 -26.12 9.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -70.38 1.61 4.79 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 121.347 -0.846 . . . . 0.0 108.737 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -99.78 51.24 0.92 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.96 73.08 0.14 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.232 0.539 . . . . 0.0 110.546 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.47 HD21 ' NZ ' ' A' ' 29' ' ' LYS . 6.1 t30 59.68 85.14 0.11 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.809 0.814 . . . . 0.0 109.003 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.79 43.94 2.57 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.93 -17.66 5.68 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 108.029 -2.029 . . . . 0.0 108.029 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' ASP . 38.6 m -111.82 110.79 21.33 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.481 -1.011 . . . . 0.0 109.159 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.452 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 31.8 t0 -28.03 136.77 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.401 0.619 . . . . 0.0 111.958 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.93 -32.74 61.52 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -15.78 49.28 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.408 -0.807 . . . . 0.0 108.931 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -91.93 174.46 7.32 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.209 -0.932 . . . . 0.0 109.453 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -99.43 168.59 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.327 -0.858 . . . . 0.0 109.294 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.2 t -132.8 141.63 48.58 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.251 -0.905 . . . . 0.0 109.237 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.84 140.69 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.165 -0.959 . . . . 0.0 109.551 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.37 -3.11 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.288 -0.883 . . . . 0.0 109.439 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 . . . . . 0 CA--C 1.531 0.214 0 O-C-N 121.375 -0.828 . . . . 0.0 109.419 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.5 pttt . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 121.324 0.583 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.03 165.59 22.87 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.289 -0.882 . . . . 0.0 109.128 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.85 128.5 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 O-C-N 121.246 -0.908 . . . . 0.0 109.559 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -120.46 160.32 23.37 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.351 -0.843 . . . . 0.0 109.394 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 69.7 m -124.21 143.78 50.32 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.268 -0.895 . . . . 0.0 108.935 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -140.27 110.9 6.78 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.05 -1.031 . . . . 0.0 109.934 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -88.88 105.53 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.312 -0.868 . . . . 0.0 109.054 179.465 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -72.09 -18.54 61.91 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.272 -0.893 . . . . 0.0 110.029 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -54.57 168.03 0.53 Allowed Pre-proline 0 CA--C 1.533 0.315 0 O-C-N 121.114 -0.991 . . . . 0.0 109.543 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.408 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 11.6 Cg_endo -87.99 -41.59 0.05 OUTLIER 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 125.285 3.99 . . . . 0.0 110.155 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.408 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 1.3 t70 -80.5 17.87 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.221 -0.925 . . . . 0.0 109.015 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 78' ' ' CYS . 53.0 p -55.18 108.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.504 -0.747 . . . . 0.0 109.755 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -143.83 68.78 16.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 O-C-N 121.309 -0.87 . . . . 0.0 108.993 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -31.17 119.27 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.743 1 C-N-CA 126.324 4.682 . . . . 0.0 111.083 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 91' ' ' PHE . 25.0 mt -76.71 -19.91 57.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.595 ' CD2' HD11 ' A' ' 90' ' ' ILE . 96.6 m-85 -132.08 -106.65 0.26 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -113.5 23.42 13.19 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.012 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.89 41.61 1.8 Allowed Glycine 0 CA--C 1.531 1.069 0 C-N-CA 119.736 -1.221 . . . . 0.0 110.343 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.595 HD11 ' CD2' ' A' ' 87' ' ' PHE . 2.4 pt -111.82 -21.3 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 121.027 -1.278 . . . . 0.0 109.245 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.631 ' HB2' HD12 ' A' ' 86' ' ' LEU . 33.9 m-85 -137.0 63.79 1.56 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.327 -0.858 . . . . 0.0 109.558 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 18.7 m -61.8 118.87 7.75 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.319 -0.863 . . . . 0.0 109.39 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 O-C-N 121.199 -0.938 . . . . 0.0 109.375 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.526 ' HD1' ' N ' ' A' ' 5' ' ' HIS . 2.3 p-80 . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 121.059 0.457 . . . . 0.0 109.782 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 66.41 137.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.313 -0.867 . . . . 0.0 109.651 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 m -135.13 5.05 3.26 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.131 -0.981 . . . . 0.0 109.486 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.548 HG12 ' N ' ' A' ' 9' ' ' LYS . 14.2 t 57.29 -124.29 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 121.224 -0.923 . . . . 0.0 109.402 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.548 ' N ' HG12 ' A' ' 8' ' ' VAL . 1.8 ttpt -100.24 44.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.281 -0.887 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HB3' ' HZ2' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -114.95 120.32 39.51 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.242 -0.911 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -130.11 117.0 19.29 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.212 -0.93 . . . . 0.0 109.592 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -93.21 175.89 2.86 Favored Pre-proline 0 CA--C 1.533 0.293 0 O-C-N 121.335 -0.853 . . . . 0.0 109.231 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 12' ' ' CYS . 11.9 Cg_endo -88.05 172.37 5.33 Favored 'Trans proline' 0 N--CA 1.479 0.621 0 C-N-CA 125.283 3.988 . . . . 0.0 110.576 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -54.4 171.52 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.288 -0.882 . . . . 0.0 109.511 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.853 ' HA ' HD12 ' A' ' 31' ' ' LEU . 11.1 m-80 56.67 18.74 3.84 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.254 -0.903 . . . . 0.0 109.251 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.3 t -163.41 157.45 19.92 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.227 -0.921 . . . . 0.0 109.662 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.73 158.23 27.75 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 109.354 -1.499 . . . . 0.0 109.354 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 p -73.08 160.38 32.12 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.143 -1.21 . . . . 0.0 109.201 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.508 ' CE1' ' CD2' ' A' ' 21' ' ' HIS . 19.5 t80 -157.38 104.97 2.05 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.14 -0.975 . . . . 0.0 109.625 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -83.11 -115.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.371 -0.831 . . . . 0.0 109.114 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.508 ' CD2' ' CE1' ' A' ' 19' ' ' PHE . 20.4 m-70 59.59 -157.14 0.33 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.835 HD12 ' HB3' ' A' ' 25' ' ' ARG . 5.6 mt 60.12 15.33 5.1 Favored 'General case' 0 C--O 1.225 -0.216 0 O-C-N 121.159 -0.963 . . . . 0.0 109.179 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 76.4 -42.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -161.45 8.98 0.08 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.107 -0.996 . . . . 0.0 110.692 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.835 ' HB3' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -96.51 103.96 15.91 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 120.719 -1.238 . . . . 0.0 109.571 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -115.24 138.05 51.36 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.339 -0.851 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -163.64 164.87 23.86 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.239 -0.913 . . . . 0.0 109.471 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 m -95.0 107.56 19.61 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.254 -0.904 . . . . 0.0 109.33 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' HZ1' ' HA2' ' A' ' 55' ' ' GLY . 18.6 tttt -104.69 143.28 33.31 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.251 -0.906 . . . . 0.0 109.104 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.0 m -60.99 162.09 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.131 -0.981 . . . . 0.0 109.546 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 15' ' ' ASN . 44.8 mt -69.52 -167.61 0.14 Allowed 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.153 -0.967 . . . . 0.0 109.737 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HG ' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -71.64 156.07 39.8 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.358 -0.839 . . . . 0.0 109.422 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 57.89 17.09 4.04 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.413 -0.804 . . . . 0.0 109.42 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.42 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 17.2 m-85 -127.63 121.63 30.98 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.453 -0.779 . . . . 0.0 109.231 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.432 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -100.66 -177.67 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.273 -0.892 . . . . 0.0 109.131 179.62 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -126.94 129.55 48.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.402 -0.811 . . . . 0.0 109.449 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -146.63 97.28 2.89 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.258 -0.901 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.05 -99.8 2.41 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.76 4.03 2.09 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.258 -1.143 . . . . 0.0 109.415 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm -133.43 129.67 37.61 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.334 -0.854 . . . . 0.0 109.363 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -76.57 145.49 38.95 Favored 'General case' 0 C--N 1.33 -0.283 0 O-C-N 121.243 -0.911 . . . . 0.0 109.424 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.432 HG22 ' HG3' ' A' ' 35' ' ' LYS . 24.0 m -121.46 -179.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 121.273 -0.892 . . . . 0.0 109.397 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.21 137.25 42.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.199 -0.938 . . . . 0.0 109.344 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -124.58 67.37 48.9 Favored Pre-proline 0 C--N 1.331 -0.234 0 O-C-N 121.252 -0.905 . . . . 0.0 109.671 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -35.32 -32.75 0.09 OUTLIER 'Trans proline' 0 N--CA 1.482 0.833 1 C-N-CA 125.891 4.394 . . . . 0.0 110.37 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -120.59 95.98 48.95 Favored Pre-proline 0 CA--C 1.535 0.379 0 O-C-N 121.339 -0.85 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -84.83 174.95 7.12 Favored 'Trans proline' 0 N--CA 1.48 0.693 0 C-N-CA 125.013 3.809 . . . . 0.0 110.334 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.868 HG21 ' CG ' ' A' ' 51' ' ' GLU . 12.9 t -140.0 -159.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.19 -0.944 . . . . 0.0 109.963 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.447 ' N ' HG23 ' A' ' 48' ' ' THR . 38.5 m -145.35 -38.81 0.25 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -69.33 3.18 2.39 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.484 -0.76 . . . . 0.0 109.706 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.868 ' CG ' HG21 ' A' ' 48' ' ' THR . 79.3 mm-40 -105.45 60.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.149 -0.969 . . . . 0.0 108.943 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.07 72.15 0.16 Allowed 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.001 0.429 . . . . 0.0 110.873 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 22.2 t-20 58.69 80.98 0.17 Allowed 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.408 -0.808 . . . . 0.0 109.631 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.99 92.6 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 107.745 -2.142 . . . . 0.0 107.745 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.446 ' H ' ' H ' ' A' ' 56' ' ' CYS . . . -160.45 -4.74 0.05 OUTLIER Glycine 0 CA--C 1.523 0.545 0 N-CA-C 107.404 -2.279 . . . . 0.0 107.404 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.446 ' H ' ' H ' ' A' ' 55' ' ' GLY . 73.6 m -111.61 120.6 42.63 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.728 -0.866 . . . . 0.0 109.09 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.444 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -26.25 131.21 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.434 0.635 . . . . 0.0 111.877 -179.209 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.95 -30.26 58.48 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.298 -0.876 . . . . 0.0 109.256 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -89.39 -6.79 56.28 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.379 -0.826 . . . . 0.0 109.223 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.3 160.05 14.63 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.285 -0.884 . . . . 0.0 109.735 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.66 165.34 24.38 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.392 -0.817 . . . . 0.0 109.133 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.1 t -140.16 134.86 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.247 -0.908 . . . . 0.0 109.533 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p -124.34 139.17 54.16 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.19 -0.944 . . . . 0.0 109.493 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.18 17.79 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.352 -0.842 . . . . 0.0 109.652 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.451 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 35.6 mt-10 . . . . . 0 CA--C 1.531 0.214 0 O-C-N 121.342 -0.849 . . . . 0.0 109.706 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -119.71 114.18 21.78 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.178 -0.951 . . . . 0.0 109.534 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -101.59 141.41 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 121.335 -0.853 . . . . 0.0 109.154 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.04 156.72 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.093 -1.005 . . . . 0.0 109.726 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 m -123.49 143.04 50.42 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.386 -0.821 . . . . 0.0 109.224 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -146.39 96.82 2.84 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.166 -0.959 . . . . 0.0 109.458 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.6 m -73.31 128.88 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.31 -0.869 . . . . 0.0 109.455 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 79' ' ' THR . 14.1 t -93.14 36.17 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.317 -0.864 . . . . 0.0 109.348 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -111.21 168.29 7.81 Favored Pre-proline 0 CA--C 1.532 0.285 0 O-C-N 121.224 -0.922 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -85.91 -35.44 0.14 Allowed 'Trans proline' 0 N--CA 1.478 0.569 0 C-N-CA 125.085 3.857 . . . . 0.0 109.895 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -89.92 20.37 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.36 -0.837 . . . . 0.0 108.907 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.8 t -53.31 102.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.546 -0.722 . . . . 0.0 109.605 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -139.36 74.97 34.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 O-C-N 121.312 -0.868 . . . . 0.0 109.077 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -31.4 113.36 0.05 OUTLIER 'Trans proline' 0 N--CA 1.481 0.76 1 C-N-CA 126.071 4.514 . . . . 0.0 111.026 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.595 HD12 ' HB2' ' A' ' 91' ' ' PHE . 72.0 mt -68.32 -10.43 54.76 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -153.39 -109.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -104.2 19.64 19.79 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.618 -0.676 . . . . 0.0 110.053 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.25 21.29 7.4 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 119.484 -1.341 . . . . 0.0 110.349 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.782 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.4 pt -89.09 -29.57 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 O-C-N 121.043 -1.269 . . . . 0.0 109.004 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.782 ' CE2' HD12 ' A' ' 90' ' ' ILE . 13.2 m-85 -136.21 101.78 4.8 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.338 -0.851 . . . . 0.0 109.225 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.1 80.72 7.58 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.056 -1.028 . . . . 0.0 109.616 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.458 ' OG ' HD11 ' A' ' 86' ' ' LEU . 50.8 p . . . . . 0 C--N 1.329 -0.303 0 O-C-N 121.312 -0.867 . . . . 0.0 109.27 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.408 ' CE1' ' O ' ' A' ' 18' ' ' CYS . 18.5 t60 . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 121.257 0.551 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -140.76 54.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.309 -0.869 . . . . 0.0 109.364 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 p -57.87 155.48 10.41 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.156 -0.965 . . . . 0.0 109.356 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.731 HG12 ' H ' ' A' ' 9' ' ' LYS . 1.9 t -58.35 -175.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 O-C-N 121.292 -0.88 . . . . 0.0 109.676 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.731 ' H ' HG12 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -74.32 50.95 0.42 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.315 -0.866 . . . . 0.0 109.563 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -55.28 -37.98 68.02 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.291 -0.88 . . . . 0.0 109.306 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 55.88 90.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.285 -0.884 . . . . 0.0 109.459 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.75 172.93 5.82 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 121.153 -0.967 . . . . 0.0 109.013 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -87.66 169.54 6.78 Favored 'Trans proline' 0 N--CA 1.479 0.623 1 C-N-CA 125.381 4.054 . . . . 0.0 110.595 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.1 168.03 0.25 Allowed 'General case' 0 C--N 1.332 -0.158 0 O-C-N 121.328 -0.858 . . . . 0.0 109.425 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.899 ' HA ' HD12 ' A' ' 31' ' ' LEU . 31.8 m-20 55.34 30.02 14.06 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.213 -0.93 . . . . 0.0 109.128 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -164.96 123.85 1.76 Allowed 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.297 -0.877 . . . . 0.0 109.907 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -104.45 -160.75 24.17 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 109.224 -1.551 . . . . 0.0 109.224 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.408 ' O ' ' CE1' ' A' ' 5' ' ' HIS . 7.3 t -122.2 141.49 51.41 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.121 -1.223 . . . . 0.0 109.661 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CE1' ' CD2' ' A' ' 21' ' ' HIS . 4.4 t80 -150.02 145.32 26.34 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.517 ' H ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -155.82 80.09 1.01 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.341 -0.849 . . . . 0.0 108.766 -179.241 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.517 ' CD2' ' H ' ' A' ' 20' ' ' ARG . 55.5 m-70 -149.07 -32.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.051 -1.031 . . . . 0.0 110.64 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.0 mp -53.51 -22.91 8.98 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.249 -0.907 . . . . 0.0 110.128 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.37 19.37 1.54 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 60.43 16.22 6.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.0 45.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.509 ' CB ' ' HA ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -68.55 -130.1 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.753 -0.592 . . . . 0.0 110.169 -179.154 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -174.99 -168.26 0.33 Allowed 'General case' 0 C--O 1.233 0.187 0 O-C-N 120.666 -1.271 . . . . 0.0 109.671 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.6 m -69.65 132.12 45.67 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.515 -0.74 . . . . 0.0 109.351 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 138.78 54.4 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.213 -0.93 . . . . 0.0 108.798 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.8 m -54.49 159.18 2.17 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.045 -1.035 . . . . 0.0 109.521 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.899 HD12 ' HA ' ' A' ' 15' ' ' ASN . 34.6 mt -69.54 -167.36 0.13 Allowed 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.241 -0.912 . . . . 0.0 110.166 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 157.44 38.08 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 121.464 -0.773 . . . . 0.0 109.654 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 57.71 16.26 3.39 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.265 -0.897 . . . . 0.0 109.475 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.448 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 13.6 m-85 -127.57 115.92 19.55 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.394 -0.816 . . . . 0.0 109.792 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' H ' ' HG2' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -104.09 177.69 4.77 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.157 -0.965 . . . . 0.0 108.8 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -98.82 144.8 27.64 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.146 -0.971 . . . . 0.0 109.434 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -150.2 76.84 1.29 Allowed 'General case' 0 C--N 1.332 -0.182 0 O-C-N 121.168 -0.957 . . . . 0.0 109.613 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.31 -80.26 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.2 -10.53 0.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.212 -1.17 . . . . 0.0 109.572 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -118.9 130.51 55.77 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.257 -0.902 . . . . 0.0 109.173 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.6 m -73.03 125.79 28.47 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.057 -1.027 . . . . 0.0 109.493 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.453 HG22 ' HG3' ' A' ' 35' ' ' LYS . 2.5 m -101.96 -178.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 121.287 -0.883 . . . . 0.0 109.718 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -79.42 138.41 37.61 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.601 -0.687 . . . . 0.0 109.504 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -123.81 66.45 38.3 Favored Pre-proline 0 C--N 1.332 -0.189 0 O-C-N 121.198 -0.939 . . . . 0.0 109.589 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -34.61 -32.89 0.07 OUTLIER 'Trans proline' 0 N--CA 1.482 0.814 1 C-N-CA 126.005 4.47 . . . . 0.0 110.738 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.96 90.78 50.36 Favored Pre-proline 0 CA--C 1.533 0.317 0 O-C-N 121.252 -0.905 . . . . 0.0 109.739 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -91.47 158.54 3.64 Favored 'Trans proline' 0 N--CA 1.477 0.543 1 C-N-CA 125.393 4.062 . . . . 0.0 110.393 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.418 HG23 ' HG2' ' A' ' 51' ' ' GLU . 6.7 t -133.42 -164.33 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.17 -0.956 . . . . 0.0 109.573 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.404 ' N ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -123.86 -24.45 4.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -69.94 1.0 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HG2' HG23 ' A' ' 48' ' ' THR . 14.3 pt-20 -98.51 50.07 0.99 Allowed 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 42.41 72.34 0.18 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.384 0.611 . . . . 0.0 109.7 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.502 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.1 OUTLIER 64.52 91.09 0.08 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 122.837 1.303 . . . . 0.0 108.35 -179.197 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -105.23 38.35 3.34 Favored Glycine 0 CA--C 1.518 0.245 0 N-CA-C 107.624 -2.19 . . . . 0.0 107.624 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 133.12 -19.62 4.33 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 107.432 -2.267 . . . . 0.0 107.432 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.502 ' C ' HD22 ' A' ' 53' ' ' ASN . 56.6 m -112.5 128.42 56.33 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.459 -1.024 . . . . 0.0 108.7 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -45.9 140.21 3.78 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.309 0.576 . . . . 0.0 110.354 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.0 -32.52 47.03 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.618 -0.676 . . . . 0.0 109.264 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -16.05 36.03 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.318 -0.864 . . . . 0.0 109.198 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.19 162.34 18.38 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.265 -0.897 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -89.95 153.95 20.22 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.301 -0.874 . . . . 0.0 109.039 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 36.9 t -124.42 132.0 53.51 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.18 -0.95 . . . . 0.0 109.445 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -116.68 139.66 50.29 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.239 -0.913 . . . . 0.0 109.362 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.37 19.49 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.224 -0.923 . . . . 0.0 109.669 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 C--N 1.33 -0.252 0 O-C-N 121.376 -0.828 . . . . 0.0 109.661 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -112.27 130.86 55.79 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.293 -0.879 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.77 124.99 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 O-C-N 121.274 -0.892 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.68 163.6 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.23 -0.919 . . . . 0.0 109.525 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -135.97 114.31 11.62 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.219 -0.926 . . . . 0.0 109.452 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -112.04 98.77 7.57 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.216 -0.927 . . . . 0.0 109.224 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 34.6 m -59.77 153.47 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.21 -0.932 . . . . 0.0 109.702 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 t -104.75 10.22 34.7 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.349 -0.845 . . . . 0.0 109.111 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -71.06 154.55 94.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 O-C-N 121.318 -0.864 . . . . 0.0 108.99 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -37.35 -92.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.482 0.844 0 C-N-CA 125.275 3.984 . . . . 0.0 110.004 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -90.93 -2.93 57.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 120.759 -1.213 . . . . 0.0 107.776 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.401 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER 61.34 156.73 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.331 0.586 . . . . 0.0 109.673 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 83' ' ' SER . 67.0 m-85 -152.8 59.44 2.86 Favored Pre-proline 0 C--N 1.33 -0.273 0 O-C-N 120.863 -1.148 . . . . 0.0 109.757 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -36.85 110.94 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.761 1 C-N-CA 125.783 4.322 . . . . 0.0 110.482 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.78 HD12 ' CB ' ' A' ' 91' ' ' PHE . 22.9 mt -76.59 -6.54 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -153.7 -108.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -112.48 18.13 18.7 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.544 -0.723 . . . . 0.0 109.772 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.52 -18.08 8.8 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 119.638 -1.267 . . . . 0.0 110.206 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.406 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -55.14 -37.13 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 121.11 -1.23 . . . . 0.0 109.429 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.78 ' CB ' HD12 ' A' ' 86' ' ' LEU . 13.5 m-85 -130.84 123.77 29.8 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.134 -0.979 . . . . 0.0 109.089 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 94.56 4.87 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.147 -0.97 . . . . 0.0 109.469 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.608 ' O ' HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 O-C-N 121.266 -0.896 . . . . 0.0 109.422 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.404 ' CE1' HD21 ' A' ' 86' ' ' LEU . 28.8 p-80 . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.49 92.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.21 -0.931 . . . . 0.0 109.399 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 m -54.54 143.03 25.57 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.279 -0.888 . . . . 0.0 109.271 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.674 HG23 ' OE2' ' A' ' 26' ' ' GLU . 39.0 t -59.44 -74.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 121.133 -0.98 . . . . 0.0 109.499 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -138.31 54.26 1.78 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.163 -0.961 . . . . 0.0 109.692 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HZ2' ' HB2' ' A' ' 18' ' ' CYS . 1.7 mmmp? -91.78 147.32 23.07 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.194 -0.941 . . . . 0.0 109.234 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -144.42 69.44 1.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.133 -0.979 . . . . 0.0 109.721 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -69.28 173.69 3.61 Favored Pre-proline 0 CA--C 1.532 0.274 0 O-C-N 121.205 -0.934 . . . . 0.0 109.05 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -88.18 169.88 6.07 Favored 'Trans proline' 0 N--CA 1.478 0.571 1 C-N-CA 125.335 4.024 . . . . 0.0 110.619 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -53.97 173.25 0.07 Allowed 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.358 -0.839 . . . . 0.0 109.616 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.779 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER 54.88 31.42 15.74 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.322 -0.861 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.66 139.75 3.14 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.26 -0.9 . . . . 0.0 109.501 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.23 166.65 14.81 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.48 ' HB2' ' HZ2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -88.07 154.87 20.13 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.275 -1.132 . . . . 0.0 109.539 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.494 ' HE2' HD11 ' A' ' 22' ' ' LEU . 5.1 t80 -160.01 108.14 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.254 -0.904 . . . . 0.0 109.403 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.418 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 31.0 ttp85 -107.76 78.84 1.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.377 -0.827 . . . . 0.0 109.379 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.498 ' O ' HD12 ' A' ' 22' ' ' LEU . 85.9 m-70 -154.9 164.89 38.21 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.362 -0.836 . . . . 0.0 109.984 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 21' ' ' HIS . 0.6 OUTLIER 71.05 -40.94 0.49 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.77 -0.581 . . . . 0.0 110.443 179.504 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.5 p30 -109.55 7.63 24.75 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.053 -1.03 . . . . 0.0 109.543 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 55.21 21.14 3.81 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.276 -0.89 . . . . 0.0 109.127 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -143.39 151.26 40.2 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.347 -0.846 . . . . 0.0 109.26 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.674 ' OE2' HG23 ' A' ' 8' ' ' VAL . 12.5 mt-10 -78.2 141.32 38.72 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.276 -0.89 . . . . 0.0 109.716 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -139.05 162.81 34.02 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.371 -0.831 . . . . 0.0 109.208 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.6 m -109.72 95.42 5.59 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.136 -0.978 . . . . 0.0 109.64 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 8.6 tttt -87.15 168.81 12.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.464 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.3 m -90.14 166.46 13.38 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.857 -1.152 . . . . 0.0 109.22 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 15' ' ' ASN . 12.5 mt -74.98 -164.87 0.33 Allowed 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.151 -0.968 . . . . 0.0 110.169 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.18 153.64 42.33 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.262 -0.898 . . . . 0.0 109.728 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 56.95 18.65 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.298 -0.876 . . . . 0.0 109.348 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.42 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 18.9 m-85 -125.93 120.06 29.4 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.316 -0.865 . . . . 0.0 109.245 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.459 ' H ' ' HG2' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -104.06 -178.9 3.79 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.179 -0.951 . . . . 0.0 108.997 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -112.49 126.27 55.14 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.369 -0.832 . . . . 0.0 109.287 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.22 130.91 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.191 -0.943 . . . . 0.0 109.501 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.18 -101.84 0.6 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.77 4.16 3.03 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.213 -1.169 . . . . 0.0 109.411 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -135.82 147.57 48.34 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.236 -0.915 . . . . 0.0 109.171 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 77.6 m -79.12 143.1 35.82 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.137 -0.977 . . . . 0.0 109.368 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.457 HG22 ' HG3' ' A' ' 35' ' ' LYS . 3.2 m -121.32 -179.32 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 O-C-N 121.207 -0.933 . . . . 0.0 109.596 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.14 138.44 40.73 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.538 -0.726 . . . . 0.0 109.39 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -130.39 67.07 79.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 O-C-N 121.269 -0.894 . . . . 0.0 109.67 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -35.88 -32.04 0.09 OUTLIER 'Trans proline' 0 N--CA 1.483 0.866 1 C-N-CA 125.848 4.366 . . . . 0.0 110.359 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.97 95.85 49.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 O-C-N 121.279 -0.888 . . . . 0.0 109.474 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -84.19 179.02 4.84 Favored 'Trans proline' 0 N--CA 1.481 0.765 0 C-N-CA 124.938 3.759 . . . . 0.0 110.261 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.843 HG21 ' CG ' ' A' ' 51' ' ' GLU . 15.4 t -149.49 -160.73 1.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.272 -0.892 . . . . 0.0 109.815 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 m -141.57 -38.79 0.39 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.431 -0.793 . . . . 0.0 108.92 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -69.12 3.83 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.545 -0.722 . . . . 0.0 109.647 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.843 ' CG ' HG21 ' A' ' 48' ' ' THR . 71.0 mm-40 -108.19 59.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.203 -0.935 . . . . 0.0 108.913 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.02 73.89 0.11 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.009 0.433 . . . . 0.0 111.014 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 17.9 t-20 58.95 82.51 0.14 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.454 -0.779 . . . . 0.0 109.394 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.7 -37.55 76.69 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 107.651 -2.18 . . . . 0.0 107.651 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.62 ' O ' HG22 ' A' ' 90' ' ' ILE . . . -157.18 -4.38 0.08 OUTLIER Glycine 0 CA--C 1.522 0.51 0 N-CA-C 107.284 -2.326 . . . . 0.0 107.284 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASP . 60.7 m -111.83 124.73 52.97 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.656 -0.908 . . . . 0.0 109.171 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 19.1 t0 -32.7 135.65 0.09 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.497 0.665 . . . . 0.0 111.516 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.12 -23.72 8.74 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.55 -0.719 . . . . 0.0 109.338 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -97.98 -15.64 20.01 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.397 -0.814 . . . . 0.0 109.302 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -85.34 162.33 19.12 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.169 -0.957 . . . . 0.0 109.684 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -83.38 164.53 19.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.372 -0.83 . . . . 0.0 109.122 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.5 t -135.83 133.26 37.63 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.224 -0.922 . . . . 0.0 109.694 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -122.49 138.7 54.47 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.249 -0.907 . . . . 0.0 109.276 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.58 19.33 2.53 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.418 -0.801 . . . . 0.0 109.623 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 . . . . . 0 C--N 1.331 -0.224 0 O-C-N 121.457 -0.777 . . . . 0.0 109.701 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.13 130.27 55.68 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.302 -0.874 . . . . 0.0 109.461 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.7 mm -111.63 111.18 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 121.3 -0.875 . . . . 0.0 109.384 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.27 137.91 48.41 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.196 -0.94 . . . . 0.0 109.374 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.0 m -104.45 155.86 18.44 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.217 -0.927 . . . . 0.0 109.414 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -156.69 101.15 1.97 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.288 -0.882 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.3 m -60.24 97.19 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.185 -0.947 . . . . 0.0 108.758 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 79' ' ' THR . 12.8 t -73.54 46.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.264 -0.897 . . . . 0.0 110.049 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -138.76 167.79 18.13 Favored Pre-proline 0 C--N 1.329 -0.321 0 O-C-N 121.102 -0.999 . . . . 0.0 109.446 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 16.5 Cg_endo -89.29 -45.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.571 1 C-N-CA 125.344 4.029 . . . . 0.0 110.037 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.436 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . 50.5 m-20 -82.82 25.71 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.379 -0.825 . . . . 0.0 109.147 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.45 113.07 25.22 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.521 -0.737 . . . . 0.0 109.356 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.451 ' H ' ' H ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -120.93 77.19 30.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 O-C-N 121.2 -0.937 . . . . 0.0 109.572 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -32.58 110.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.482 0.822 1 C-N-CA 125.824 4.349 . . . . 0.0 110.878 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.404 HD21 ' CE1' ' A' ' 5' ' ' HIS . 31.0 mt -71.6 -33.12 68.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -117.26 -106.27 0.39 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.94 17.56 20.38 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.802 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.04 1.77 22.26 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 119.679 -1.248 . . . . 0.0 110.398 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.854 HD12 ' CE2' ' A' ' 91' ' ' PHE . 3.0 pt -68.51 -26.24 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 120.894 -1.357 . . . . 0.0 109.253 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.854 ' CE2' HD12 ' A' ' 90' ' ' ILE . 29.4 m-85 -140.4 96.26 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.245 -0.909 . . . . 0.0 109.751 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.69 133.68 47.32 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.206 -0.934 . . . . 0.0 108.906 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.451 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 O-C-N 121.349 -0.844 . . . . 0.0 109.511 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -28.56 46.13 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.48 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.98 107.01 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.21 -0.931 . . . . 0.0 109.343 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 m -66.25 -174.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.26 -0.9 . . . . 0.0 109.653 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 68.42 1.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.31 -0.869 . . . . 0.0 109.308 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -159.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.255 -0.903 . . . . 0.0 109.671 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -101.13 152.49 20.57 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.365 -0.835 . . . . 0.0 109.367 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 12.3 t -165.0 139.0 4.01 Favored Pre-proline 0 CA--C 1.538 0.506 0 O-C-N 121.296 -0.877 . . . . 0.0 108.955 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 24.2 Cg_endo -87.77 -177.92 2.12 Favored 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 124.552 3.502 . . . . 0.0 110.655 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -73.4 176.17 6.28 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.386 -0.821 . . . . 0.0 109.253 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.884 ' HA ' HD12 ' A' ' 31' ' ' LEU . 3.8 m120 57.13 21.15 6.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.137 -0.977 . . . . 0.0 108.713 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.78 140.57 18.13 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.314 -0.866 . . . . 0.0 109.626 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.06 -129.43 5.08 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.528 ' HA ' ' H ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -167.81 144.55 4.19 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 120.945 -1.327 . . . . 0.0 110.011 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CG ' ' N ' ' A' ' 20' ' ' ARG . 42.3 t80 -156.82 -177.75 6.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.448 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -129.99 102.94 6.49 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.189 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.578 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 1.2 m170 -49.34 162.64 0.13 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.478 0.656 . . . . 0.0 109.519 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.038 HD21 ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -62.44 -8.08 5.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.701 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -81.07 9.68 6.32 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 74.73 30.74 0.98 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER 175.09 128.72 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.946 -1.096 . . . . 0.0 110.488 179.353 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.578 ' CB ' ' H ' ' A' ' 21' ' ' HIS . 1.9 tp10 -139.78 -36.42 0.51 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.034 -1.041 . . . . 0.0 108.833 178.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 71.58 -167.61 0.14 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.965 0.888 . . . . 0.0 110.803 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -52.43 107.88 0.25 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.571 0.7 . . . . 0.0 109.756 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.528 ' H ' ' HA ' ' A' ' 18' ' ' CYS . 1.7 tmtt? -97.29 -179.38 4.48 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.451 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 46.0 m -92.05 172.66 8.29 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.037 -1.039 . . . . 0.0 109.449 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 15' ' ' ASN . 12.7 mt -91.01 -167.82 1.91 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.291 -0.881 . . . . 0.0 109.675 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.452 ' HG ' HG23 ' A' ' 90' ' ' ILE . 1.1 mt -69.03 148.6 49.85 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.282 -0.886 . . . . 0.0 109.265 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 58.82 16.14 4.3 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.224 -0.922 . . . . 0.0 109.557 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.447 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 14.4 m-85 -124.21 114.07 19.14 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.275 -0.891 . . . . 0.0 109.527 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HG3' HG23 ' A' ' 42' ' ' VAL . 3.4 ptmt -98.16 -170.95 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.288 -0.883 . . . . 0.0 109.151 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.76 155.45 19.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.566 -0.709 . . . . 0.0 109.498 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.486 ' OE1' HG11 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -166.2 71.74 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.273 -0.892 . . . . 0.0 109.42 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.77 -104.4 2.91 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -125.43 5.03 7.65 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.321 -1.105 . . . . 0.0 109.417 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.24 135.96 37.68 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.254 -0.904 . . . . 0.0 109.325 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.8 m -73.47 141.42 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.145 -0.972 . . . . 0.0 109.435 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.507 HG23 ' HG3' ' A' ' 35' ' ' LYS . 32.0 m -113.07 178.17 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 O-C-N 121.226 -0.921 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.33 124.72 27.96 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.152 -0.967 . . . . 0.0 109.45 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.416 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.9 t-20 -84.93 114.15 54.06 Favored Pre-proline 0 CA--C 1.536 0.406 0 O-C-N 121.289 -0.882 . . . . 0.0 109.396 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 12.7 Cg_endo -89.45 -15.61 2.27 Favored 'Trans proline' 0 N--CA 1.478 0.585 0 C-N-CA 124.83 3.687 . . . . 0.0 110.236 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -144.02 76.38 15.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 121.226 -0.921 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -90.96 131.93 1.53 Allowed 'Trans proline' 0 N--CA 1.477 0.505 1 C-N-CA 125.628 4.219 . . . . 0.0 110.359 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 49' ' ' CYS . 9.8 t -130.51 -129.5 0.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.19 -0.943 . . . . 0.0 109.738 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.617 ' N ' HG23 ' A' ' 48' ' ' THR . 3.9 m -140.59 -36.71 0.47 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -70.15 1.49 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.594 ' HG3' HG22 ' A' ' 48' ' ' THR . 28.6 mm-40 -97.37 52.6 1.12 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 41.71 71.58 0.2 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.265 0.555 . . . . 0.0 109.637 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.516 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.1 OUTLIER 65.5 92.46 0.07 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 122.867 1.318 . . . . 0.0 108.411 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.93 36.47 3.95 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 107.776 -2.13 . . . . 0.0 107.776 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.94 -12.47 6.49 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 107.964 -2.054 . . . . 0.0 107.964 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.516 ' C ' HD22 ' A' ' 53' ' ' ASN . 76.0 m -111.62 132.72 54.37 Favored 'General case' 0 N--CA 1.462 0.164 0 O-C-N 121.411 -1.052 . . . . 0.0 108.629 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 92' ' ' CYS . 25.1 t0 -46.27 142.48 2.89 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.36 0.6 . . . . 0.0 110.349 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.038 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -51.86 -29.84 21.32 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.716 -0.615 . . . . 0.0 109.756 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -96.77 -7.12 34.57 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.2 -0.937 . . . . 0.0 109.527 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . . . -91.94 157.34 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.14 -0.975 . . . . 0.0 109.717 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -78.0 161.5 27.44 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.299 -0.875 . . . . 0.0 108.886 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.0 t -135.4 144.87 46.8 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.117 -0.989 . . . . 0.0 109.808 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.49 143.53 30.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.298 -0.876 . . . . 0.0 109.157 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.35 15.34 4.55 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.292 -0.88 . . . . 0.0 109.338 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 69.2 mt-10 . . . . . 0 C--N 1.329 -0.306 0 O-C-N 121.402 -0.811 . . . . 0.0 109.664 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 121.332 0.587 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? 65.62 123.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 74' ' ' ILE . 16.8 mm -137.28 109.18 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 121.03 -1.044 . . . . 0.0 109.809 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.58 159.48 20.64 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.203 -0.936 . . . . 0.0 108.724 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.8 m -136.49 139.13 42.08 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.064 -1.023 . . . . 0.0 109.44 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.75 88.77 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.315 -0.865 . . . . 0.0 109.234 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.6 m -72.74 94.82 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.228 -0.92 . . . . 0.0 109.67 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 79' ' ' THR . 7.7 t -111.97 35.17 3.83 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.334 -0.854 . . . . 0.0 108.986 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.402 ' HG3' ' CD ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -103.94 144.62 29.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 O-C-N 121.407 -0.808 . . . . 0.0 109.35 -179.796 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.402 ' CD ' ' HG3' ' A' ' 80' ' ' LYS . 5.5 Cg_exo -46.32 131.27 14.8 Favored 'Trans proline' 0 N--CA 1.475 0.39 0 C-N-CA 123.687 2.925 . . . . 0.0 108.654 178.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.74 -17.8 0.33 Allowed 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.555 -0.716 . . . . 0.0 111.02 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.6 p -58.68 106.22 0.38 Allowed 'General case' 0 CA--C 1.532 0.272 0 O-C-N 120.395 -1.441 . . . . 0.0 109.112 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -129.03 92.02 40.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 O-C-N 121.18 -0.95 . . . . 0.0 109.247 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -32.73 111.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.482 0.832 1 C-N-CA 125.547 4.165 . . . . 0.0 111.487 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 86' ' ' LEU . 68.0 mt -80.49 -37.74 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 178.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.851 ' CE2' HD21 ' A' ' 31' ' ' LEU . 6.6 m-85 -106.18 -105.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.02 22.86 9.47 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.772 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.4 -19.4 7.16 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 119.58 -1.295 . . . . 0.0 110.53 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.765 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.7 pt -63.45 -28.76 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 120.997 -1.296 . . . . 0.0 109.788 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.765 ' CE2' HD12 ' A' ' 90' ' ' ILE . 9.2 m-85 -132.69 105.61 7.28 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.031 -1.043 . . . . 0.0 109.592 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.425 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 64.3 m -125.65 89.6 3.06 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.207 -0.933 . . . . 0.0 109.392 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.2 m . . . . . 0 C--N 1.328 -0.332 0 O-C-N 121.252 -0.905 . . . . 0.0 109.366 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.406 0 CA-C-O 121.132 0.491 . . . . 0.0 110.022 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -62.2 104.18 0.46 Allowed 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.939 -1.101 . . . . 0.0 109.367 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.492 ' C ' HG12 ' A' ' 8' ' ' VAL . 57.8 m -89.39 -107.58 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.352 -0.843 . . . . 0.0 109.389 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.492 HG12 ' C ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER 178.83 -45.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 O-C-N 121.248 -0.907 . . . . 0.0 109.447 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.27 58.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.281 -0.887 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' NZ ' ' CG ' ' A' ' 26' ' ' GLU . 17.0 mtpp -101.63 129.69 47.8 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.262 -0.899 . . . . 0.0 109.549 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.51 64.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.347 -0.846 . . . . 0.0 109.162 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 m -61.41 173.35 0.78 Allowed Pre-proline 0 C--N 1.33 -0.26 0 O-C-N 121.161 -0.962 . . . . 0.0 108.91 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -86.92 162.98 8.94 Favored 'Trans proline' 0 N--CA 1.478 0.597 1 C-N-CA 125.337 4.025 . . . . 0.0 110.324 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.1 172.25 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.288 -0.883 . . . . 0.0 109.443 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.662 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.9 OUTLIER 56.3 22.57 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.245 -0.91 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -162.4 128.23 3.45 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.259 -0.9 . . . . 0.0 109.772 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.18 -161.27 20.65 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.98 148.44 43.54 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.087 -1.243 . . . . 0.0 109.737 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.493 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 32.8 t80 -154.87 139.34 16.83 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.281 -0.887 . . . . 0.0 109.462 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -90.8 118.8 30.5 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.298 -0.876 . . . . 0.0 109.303 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 21' ' ' HIS . 20.4 m170 -54.28 145.46 17.67 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.28 -0.887 . . . . 0.0 109.497 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 22' ' ' LEU . 7.2 mp -67.15 -0.86 3.67 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.36 -0.837 . . . . 0.0 109.62 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -105.57 40.94 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.208 -0.933 . . . . 0.0 109.461 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 63.02 2.76 1.09 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.478 -0.764 . . . . 0.0 110.238 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -94.31 177.57 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 120.923 -1.11 . . . . 0.0 108.963 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.403 ' CG ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -163.12 150.4 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.23 -0.919 . . . . 0.0 109.375 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -173.95 -178.76 1.58 Allowed 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.246 -0.909 . . . . 0.0 109.636 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.3 m -96.38 127.55 42.48 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.327 -0.858 . . . . 0.0 109.778 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -113.73 156.57 23.56 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 1.1 m -77.32 160.36 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.825 -1.172 . . . . 0.0 109.609 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 15' ' ' ASN . 76.0 mt -77.73 -165.37 0.62 Allowed 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.291 -0.88 . . . . 0.0 109.714 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' CD1' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -70.48 158.37 36.18 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.392 -0.817 . . . . 0.0 109.392 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 m120 59.49 15.99 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.285 -0.884 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 17.4 m-85 -132.1 120.55 22.48 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.355 -0.841 . . . . 0.0 109.412 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 -172.81 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.187 -0.945 . . . . 0.0 109.45 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -106.69 156.87 18.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.648 -0.658 . . . . 0.0 109.35 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.05 100.09 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.205 -0.935 . . . . 0.0 109.564 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.77 -89.04 1.34 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.57 -3.85 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.239 -1.154 . . . . 0.0 109.488 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.86 147.94 50.02 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.22 -0.925 . . . . 0.0 109.243 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.1 m -81.18 142.51 33.14 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.138 -0.976 . . . . 0.0 109.316 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.9 m -117.17 179.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 O-C-N 121.245 -0.91 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.98 139.71 34.4 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.374 -0.829 . . . . 0.0 109.436 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 4.0 t-20 -116.42 128.46 25.98 Favored Pre-proline 0 CA--C 1.537 0.455 0 O-C-N 121.2 -0.938 . . . . 0.0 109.581 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 19.3 Cg_endo -91.65 -16.24 1.27 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 124.856 3.704 . . . . 0.0 109.983 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.53 89.44 6.82 Favored Pre-proline 0 CA--C 1.532 0.278 0 O-C-N 121.382 -0.824 . . . . 0.0 109.194 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -88.31 137.36 3.64 Favored 'Trans proline' 0 N--CA 1.48 0.685 0 C-N-CA 125.28 3.987 . . . . 0.0 110.598 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.581 HG23 ' HG2' ' A' ' 51' ' ' GLU . 10.1 t -124.81 -168.56 1.84 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.277 -0.89 . . . . 0.0 109.272 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.95 -27.55 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.221 -0.925 . . . . 0.0 109.003 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -67.64 -1.8 5.78 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.24 -0.913 . . . . 0.0 108.685 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.581 ' HG2' HG23 ' A' ' 48' ' ' THR . 7.4 pt-20 -94.13 50.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.82 70.87 0.24 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.169 0.509 . . . . 0.0 110.654 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 11.0 t-20 59.64 78.64 0.26 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.794 0.807 . . . . 0.0 109.191 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.37 -49.38 61.34 Favored Glycine 0 CA--C 1.519 0.326 0 N-CA-C 107.832 -2.107 . . . . 0.0 107.832 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.508 ' HA2' HG22 ' A' ' 90' ' ' ILE . . . -144.89 0.47 1.0 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 107.583 -2.207 . . . . 0.0 107.583 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASP . 58.3 m -111.31 114.49 27.71 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.601 -0.941 . . . . 0.0 109.107 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.44 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 5.9 t0 -30.15 138.48 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.308 0.575 . . . . 0.0 111.691 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.19 -33.22 57.63 Favored 'General case' 0 C--N 1.333 -0.152 0 O-C-N 121.439 -0.788 . . . . 0.0 109.181 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.3 -10.79 48.35 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.316 -0.865 . . . . 0.0 108.974 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.85 163.78 16.24 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.334 -0.854 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 144.36 26.36 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.366 -0.834 . . . . 0.0 109.21 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.6 t -115.14 142.03 47.21 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.158 -0.964 . . . . 0.0 109.45 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.73 141.51 47.56 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.211 -0.931 . . . . 0.0 109.504 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.86 7.6 4.06 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.292 -0.88 . . . . 0.0 109.47 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 . . . . . 0 CA--C 1.531 0.241 0 O-C-N 121.277 -0.889 . . . . 0.0 109.579 -179.915 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -97.44 106.25 18.53 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.284 -0.885 . . . . 0.0 109.444 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.01 129.43 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.262 -0.899 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.3 151.71 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.222 -0.924 . . . . 0.0 109.406 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.77 142.05 51.46 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.285 -0.884 . . . . 0.0 109.609 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -140.68 106.56 5.16 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.35 -0.844 . . . . 0.0 109.19 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.5 m -71.55 145.25 49.21 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.348 -0.845 . . . . 0.0 109.617 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -120.69 31.58 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.326 -0.859 . . . . 0.0 109.304 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -105.02 169.53 7.01 Favored Pre-proline 0 C--N 1.33 -0.281 0 O-C-N 121.339 -0.851 . . . . 0.0 109.375 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -90.56 135.94 2.16 Favored 'Trans proline' 0 N--CA 1.477 0.554 1 C-N-CA 125.417 4.078 . . . . 0.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.17 6.34 3.5 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.244 -0.91 . . . . 0.0 109.552 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.43 127.92 47.87 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.278 -0.889 . . . . 0.0 109.473 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.502 ' H ' ' N ' ' A' ' 93' ' ' SER . 33.2 m-85 -144.59 139.51 15.58 Favored Pre-proline 0 CA--C 1.533 0.308 0 O-C-N 121.298 -0.876 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -35.28 138.55 0.13 Allowed 'Trans proline' 0 N--CA 1.483 0.871 1 C-N-CA 125.516 4.144 . . . . 0.0 110.603 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.682 HD12 ' HB2' ' A' ' 91' ' ' PHE . 66.0 mt -103.44 -58.87 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.218 -0.926 . . . . 0.0 109.545 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.567 ' CD2' HD11 ' A' ' 90' ' ' ILE . 87.3 m-85 -97.79 -13.63 21.24 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.172 -0.955 . . . . 0.0 109.533 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.6 -45.74 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.458 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . -179.87 -0.42 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.582 HD12 ' CE2' ' A' ' 91' ' ' PHE . 13.9 pt -68.55 -36.48 74.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 121.273 -1.134 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.682 ' HB2' HD12 ' A' ' 86' ' ' LEU . 11.1 m-85 -131.0 143.7 50.92 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.281 -0.887 . . . . 0.0 109.315 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.75 119.04 34.22 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.502 ' N ' ' H ' ' A' ' 84' ' ' TYR . 7.2 t . . . . . 0 C--N 1.33 -0.257 0 O-C-N 121.228 -0.92 . . . . 0.0 109.44 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.794 ' NE2' HD21 ' A' ' 86' ' ' LEU . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.216 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -96.98 31.6 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.237 -0.915 . . . . 0.0 109.433 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p 35.1 -151.52 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.187 0.517 . . . . 0.0 111.378 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 t -139.76 -93.82 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 O-C-N 121.096 -1.002 . . . . 0.0 109.513 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -114.23 74.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.144 -0.972 . . . . 0.0 109.338 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HZ3' ' HB2' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -91.59 162.75 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.293 -0.88 . . . . 0.0 109.676 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.19 9.02 37.81 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.343 -0.848 . . . . 0.0 109.283 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 10.5 t -54.51 139.91 57.85 Favored Pre-proline 0 CA--C 1.538 0.485 0 O-C-N 121.322 -0.861 . . . . 0.0 109.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 29.4 Cg_endo -90.19 177.65 2.37 Favored 'Trans proline' 0 N--CA 1.48 0.717 0 C-N-CA 124.67 3.58 . . . . 0.0 110.881 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -62.98 175.97 0.78 Allowed 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.372 -0.83 . . . . 0.0 109.178 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.673 ' HA ' HD12 ' A' ' 31' ' ' LEU . 6.2 m-20 55.31 22.08 4.58 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 121.243 -0.911 . . . . 0.0 108.828 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.3 t -158.55 123.92 4.37 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.46 -0.775 . . . . 0.0 109.14 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.74 167.09 17.13 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -97.56 163.23 12.93 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.116 -1.226 . . . . 0.0 109.712 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -152.69 100.87 2.58 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.278 -0.889 . . . . 0.0 109.535 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 4.0 ttt180 -99.25 79.0 2.27 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.183 -0.948 . . . . 0.0 109.129 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.455 ' O ' HD12 ' A' ' 22' ' ' LEU . 91.7 m-70 -154.36 139.39 17.35 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.255 -0.903 . . . . 0.0 110.099 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 21' ' ' HIS . 0.7 OUTLIER 67.58 0.74 2.31 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.648 -0.658 . . . . 0.0 110.156 179.116 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -129.64 -3.31 4.77 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.04 -1.037 . . . . 0.0 109.343 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 54.51 22.74 4.08 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.353 -0.842 . . . . 0.0 108.849 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.07 154.09 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.564 -0.71 . . . . 0.0 109.099 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.21 122.4 28.35 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.245 -0.909 . . . . 0.0 110.034 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.53 166.72 10.21 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HB2' ' HZ3' ' A' ' 10' ' ' LYS . 4.2 t -123.12 97.61 5.5 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.086 -1.009 . . . . 0.0 109.45 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -104.79 141.85 35.76 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.385 -0.822 . . . . 0.0 109.059 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 2.8 m -63.5 154.88 31.02 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.146 -0.972 . . . . 0.0 109.818 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 15' ' ' ASN . 49.9 mt -69.51 -167.45 0.13 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.3 -0.875 . . . . 0.0 109.546 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.472 ' HG ' HG21 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -73.61 157.14 37.2 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 121.271 -0.893 . . . . 0.0 109.388 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.1 14.32 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.291 -0.88 . . . . 0.0 109.358 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.43 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 12.5 m-85 -126.17 116.38 21.24 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.375 -0.828 . . . . 0.0 109.213 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -101.02 -179.35 4.02 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.168 -0.958 . . . . 0.0 109.397 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -104.05 142.3 34.7 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.385 -0.822 . . . . 0.0 109.46 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -157.83 87.19 0.93 Allowed 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.25 -0.906 . . . . 0.0 109.525 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.63 -105.96 3.36 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.45 5.04 5.66 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.177 -1.19 . . . . 0.0 109.426 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -138.89 130.44 27.35 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.235 -0.916 . . . . 0.0 109.217 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.1 m -71.09 136.27 48.15 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.301 -0.875 . . . . 0.0 109.587 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.463 HG22 ' HG3' ' A' ' 35' ' ' LYS . 3.0 m -108.33 -179.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 O-C-N 121.253 -0.905 . . . . 0.0 109.858 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.95 127.27 32.39 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.549 -0.72 . . . . 0.0 109.33 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.452 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 2.0 t-20 -110.88 123.63 34.96 Favored Pre-proline 0 CA--C 1.535 0.401 0 O-C-N 121.274 -0.891 . . . . 0.0 109.372 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.6 Cg_endo -90.75 -15.6 1.69 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 124.735 3.623 . . . . 0.0 110.303 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -132.97 85.14 46.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.278 -0.889 . . . . 0.0 109.723 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -91.44 167.02 3.46 Favored 'Trans proline' 0 N--CA 1.476 0.486 1 C-N-CA 125.624 4.216 . . . . 0.0 109.904 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.85 HG23 ' HG2' ' A' ' 51' ' ' GLU . 5.5 t -152.7 179.5 8.57 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.117 -0.99 . . . . 0.0 109.883 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 m -111.5 -29.51 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -57.95 -17.99 20.54 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.402 -0.811 . . . . 0.0 108.826 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.85 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.5 pt-20 -74.0 66.63 1.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.0 p30 42.13 53.01 4.41 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.074 0.464 . . . . 0.0 111.301 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.508 HD22 ' HA ' ' A' ' 58' ' ' ALA . 6.8 t30 62.61 65.84 0.81 Allowed 'General case' 0 N--CA 1.462 0.169 0 O-C-N 120.923 -1.11 . . . . 0.0 108.874 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.38 -51.11 5.08 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.79 -19.76 78.67 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.65 154.76 24.44 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.0 -1.294 . . . . 0.0 110.417 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.468 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -55.29 -94.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.373 -0.83 . . . . 0.0 109.823 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.508 ' HA ' HD22 ' A' ' 53' ' ' ASN . . . -154.15 -15.35 0.13 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.334 -0.854 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.74 -17.6 6.82 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.292 -0.88 . . . . 0.0 109.484 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.99 178.78 2.55 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.272 -0.892 . . . . 0.0 109.427 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.67 124.62 49.19 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.273 -0.892 . . . . 0.0 109.592 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.92 157.91 15.89 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.423 -0.798 . . . . 0.0 109.389 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.55 151.63 24.53 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.11 -0.994 . . . . 0.0 109.554 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -144.95 -4.36 0.74 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.169 -0.957 . . . . 0.0 109.559 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--N 1.329 -0.283 0 O-C-N 121.239 -0.913 . . . . 0.0 109.508 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -153.34 163.69 39.47 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.238 -0.914 . . . . 0.0 109.377 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mm -130.33 154.02 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 121.289 -0.882 . . . . 0.0 109.481 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.54 151.63 51.86 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.255 -0.903 . . . . 0.0 109.512 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.1 m -154.21 145.83 23.25 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.239 -0.913 . . . . 0.0 109.22 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -151.11 118.75 6.1 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.232 -0.917 . . . . 0.0 109.75 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 91.62 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -81.84 -10.89 59.19 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.319 -0.863 . . . . 0.0 110.077 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 174.31 0.21 Allowed Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.206 -0.934 . . . . 0.0 109.446 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -88.83 -52.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.478 0.569 1 C-N-CA 125.453 4.102 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -79.68 14.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.355 -0.841 . . . . 0.0 108.97 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 p -79.82 126.73 31.36 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.502 -0.749 . . . . 0.0 109.453 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -142.42 75.1 19.67 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.348 -0.845 . . . . 0.0 109.332 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -30.6 144.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.484 0.94 1 C-N-CA 126.14 4.56 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.794 HD21 ' NE2' ' A' ' 5' ' ' HIS . 53.6 mt -114.84 -53.87 2.61 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.252 -0.905 . . . . 0.0 109.71 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.402 ' O ' ' CB ' ' A' ' 88' ' ' ASP . 59.5 m-85 -102.78 -11.7 18.14 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.223 -0.923 . . . . 0.0 109.579 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER 166.0 -39.64 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.418 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . 164.07 11.11 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.677 HD12 ' CE2' ' A' ' 91' ' ' PHE . 3.2 pt -88.72 5.02 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 O-C-N 121.201 -1.176 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.677 ' CE2' HD12 ' A' ' 90' ' ' ILE . 75.8 m-85 -151.87 49.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.312 -0.868 . . . . 0.0 109.522 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.4 121.8 25.61 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.144 -0.973 . . . . 0.0 109.471 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 O-C-N 121.207 -0.933 . . . . 0.0 109.56 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 58.79 -94.24 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.311 -0.868 . . . . 0.0 109.463 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 62.37 113.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 109.819 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.826 HG22 ' H ' ' A' ' 9' ' ' LYS . 2.5 p -160.47 -172.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 O-C-N 121.071 -1.018 . . . . 0.0 109.427 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.826 ' H ' HG22 ' A' ' 8' ' ' VAL . 10.3 tttm 56.94 20.8 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.253 -0.904 . . . . 0.0 109.423 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HZ2' ' HB3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -165.07 169.24 16.49 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.312 -0.868 . . . . 0.0 109.425 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -127.23 -179.58 4.95 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.271 -0.893 . . . . 0.0 109.578 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 49.4 t -151.88 138.04 11.56 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 7.4 Cg_endo -77.4 -173.92 1.99 Allowed 'Trans proline' 0 N--CA 1.485 0.988 0 C-N-CA 124.098 3.199 . . . . 0.0 110.789 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -77.76 173.28 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.707 ' HA ' HD12 ' A' ' 31' ' ' LEU . 56.3 m-20 55.35 24.7 6.81 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 121.163 -0.961 . . . . 0.0 108.549 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.6 p -160.32 133.43 6.68 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.585 -0.697 . . . . 0.0 109.202 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.27 167.53 12.71 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.53 162.87 17.82 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.099 -1.236 . . . . 0.0 109.862 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -169.42 119.8 0.68 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.37 -0.831 . . . . 0.0 109.219 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttt-85 -74.25 120.86 20.4 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.235 -0.916 . . . . 0.0 109.159 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -54.64 142.11 29.42 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.211 -0.931 . . . . 0.0 109.361 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.662 ' H ' HD12 ' A' ' 22' ' ' LEU . 6.3 mp -66.9 -1.79 4.43 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.353 -0.842 . . . . 0.0 109.489 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.36 30.72 4.75 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.277 -0.889 . . . . 0.0 109.348 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.48 -12.06 0.86 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.193 0.52 . . . . 0.0 109.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -75.93 174.57 9.78 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.054 -1.029 . . . . 0.0 109.477 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HB3' ' HZ2' ' A' ' 10' ' ' LYS . 28.6 mt-10 -140.1 132.58 28.58 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.227 -0.921 . . . . 0.0 109.53 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -159.85 162.67 34.72 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.269 -0.895 . . . . 0.0 109.401 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.43 126.42 55.32 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.255 -0.903 . . . . 0.0 109.004 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -99.44 174.65 6.17 Favored 'General case' 0 C--O 1.225 -0.199 0 O-C-N 121.321 -0.862 . . . . 0.0 109.238 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.82 170.0 17.27 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.046 -1.034 . . . . 0.0 110.241 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.876 HD21 ' CE2' ' A' ' 87' ' ' PHE . 9.1 mt -76.72 -166.28 0.65 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.296 -0.878 . . . . 0.0 109.749 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.18 159.35 31.7 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.326 -0.859 . . . . 0.0 109.738 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 m120 56.99 16.17 2.7 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.496 -0.753 . . . . 0.0 109.92 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -117.33 179.98 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.226 -0.922 . . . . 0.0 109.039 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.487 ' HG3' HG23 ' A' ' 42' ' ' VAL . 8.0 ptmt -157.73 -174.76 5.01 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.337 -0.852 . . . . 0.0 108.96 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -117.95 135.02 54.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.481 -0.762 . . . . 0.0 109.517 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -144.35 71.94 1.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.376 -0.827 . . . . 0.0 109.378 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.52 -103.79 2.5 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -124.67 1.11 8.19 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.259 -1.142 . . . . 0.0 109.412 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -133.15 135.63 45.27 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.202 -0.936 . . . . 0.0 109.224 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.3 m -74.01 151.48 40.25 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.095 -1.003 . . . . 0.0 109.549 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.487 HG23 ' HG3' ' A' ' 35' ' ' LYS . 29.8 m -129.58 164.28 32.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 121.181 -0.949 . . . . 0.0 109.793 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.81 148.71 19.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.359 -0.838 . . . . 0.0 109.399 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.51 HD22 ' CD ' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -120.84 112.9 33.38 Favored Pre-proline 0 CA--C 1.536 0.423 0 O-C-N 121.312 -0.867 . . . . 0.0 109.527 -179.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.51 ' CD ' HD22 ' A' ' 44' ' ' ASN . 12.8 Cg_endo -89.64 -23.35 0.78 Allowed 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 124.928 3.752 . . . . 0.0 109.916 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.408 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 29.4 m120 -133.02 84.53 48.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 121.391 -0.818 . . . . 0.0 109.073 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -90.5 146.98 4.17 Favored 'Trans proline' 0 N--CA 1.477 0.513 1 C-N-CA 125.551 4.167 . . . . 0.0 110.71 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -153.58 -151.55 0.38 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.354 -0.841 . . . . 0.0 108.995 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -116.5 -34.16 4.66 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.045 -1.034 . . . . 0.0 108.644 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -69.84 2.86 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.53 -0.731 . . . . 0.0 109.361 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -98.32 52.31 1.03 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.174 -0.954 . . . . 0.0 108.771 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 42.57 69.83 0.34 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.536 0.684 . . . . 0.0 109.691 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.479 HD22 ' N ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER 61.18 93.09 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 122.25 1.024 . . . . 0.0 108.889 -179.256 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.55 -32.34 54.8 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 107.789 -2.124 . . . . 0.0 107.789 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.445 ' H ' ' H ' ' A' ' 56' ' ' CYS . . . -169.53 7.38 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 107.461 -2.256 . . . . 0.0 107.461 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.479 ' N ' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -105.74 71.55 0.92 Allowed 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.565 -0.962 . . . . 0.0 110.575 -179.788 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.44 ' OD2' ' HB2' ' A' ' 60' ' ' ALA . 0.1 OUTLIER 30.2 -92.55 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.492 0.663 . . . . 0.0 112.227 179.084 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -160.25 -19.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.185 -0.947 . . . . 0.0 108.878 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.01 -9.82 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.44 ' HB2' ' OD2' ' A' ' 57' ' ' ASP . . . -69.8 147.14 50.81 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.391 -0.818 . . . . 0.0 109.154 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 125.56 30.58 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.257 -0.902 . . . . 0.0 109.481 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.39 135.88 41.13 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.453 -0.779 . . . . 0.0 108.953 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.78 142.76 51.45 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.147 -0.97 . . . . 0.0 109.85 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.91 0.03 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.334 -0.854 . . . . 0.0 109.42 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 O-C-N 121.303 -0.873 . . . . 0.0 109.708 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt . . . . . 0 CA--C 1.532 0.26 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.9 161.98 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.285 -0.884 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.487 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.3 mm -142.46 114.0 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 O-C-N 121.304 -0.873 . . . . 0.0 109.532 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.2 152.14 23.86 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.304 -0.873 . . . . 0.0 109.216 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -130.04 140.62 50.83 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.232 -0.918 . . . . 0.0 109.782 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -143.07 121.1 12.08 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.419 -0.801 . . . . 0.0 109.089 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 106.85 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.184 -0.947 . . . . 0.0 109.517 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 79' ' ' THR . 11.7 t -78.93 43.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.295 -0.878 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.95 168.62 9.93 Favored Pre-proline 0 CA--C 1.532 0.281 0 O-C-N 121.244 -0.91 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -87.28 -48.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.658 0 C-N-CA 125.197 3.931 . . . . 0.0 110.107 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.04 16.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.235 -0.916 . . . . 0.0 109.059 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 p -66.27 116.15 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.397 -0.815 . . . . 0.0 109.545 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -139.2 69.33 40.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 121.293 -0.88 . . . . 0.0 109.18 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -31.07 111.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.48 0.686 1 C-N-CA 126.336 4.691 . . . . 0.0 111.142 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.6 mt -75.0 -35.25 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.876 ' CE2' HD21 ' A' ' 31' ' ' LEU . 6.7 m-85 -109.75 -107.14 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -116.76 25.61 10.43 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 121.685 -0.635 . . . . 0.0 109.617 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.85 -19.33 12.3 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 119.716 -1.23 . . . . 0.0 110.24 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.924 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.3 OUTLIER -65.39 -5.43 2.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 O-C-N 120.998 -1.295 . . . . 0.0 109.737 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.924 ' CE2' HD12 ' A' ' 90' ' ' ILE . 40.7 m-85 -139.84 79.77 1.73 Allowed 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.02 -1.05 . . . . 0.0 109.737 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 20.3 m -90.21 100.13 13.02 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.196 -0.94 . . . . 0.0 109.109 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.531 0.246 0 O-C-N 121.279 -0.888 . . . . 0.0 109.697 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.477 ' HD2' HD11 ' A' ' 86' ' ' LEU . 32.9 p-80 . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.48 10.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.241 -0.912 . . . . 0.0 109.272 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.8 m 58.45 172.52 0.06 Allowed 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.368 -0.832 . . . . 0.0 109.616 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.422 HG23 ' OE2' ' A' ' 26' ' ' GLU . 2.4 t -99.71 -79.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 O-C-N 121.181 -0.949 . . . . 0.0 109.599 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -112.08 -87.81 0.54 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.222 -0.924 . . . . 0.0 109.482 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HG2' ' H ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER 56.77 -135.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.217 -0.927 . . . . 0.0 109.411 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.451 ' H ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -161.4 -90.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.253 -0.905 . . . . 0.0 109.596 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 13.7 t 65.83 126.12 0.03 OUTLIER Pre-proline 0 CA--C 1.54 0.571 0 O-C-N 121.68 -0.638 . . . . 0.0 109.314 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 29.4 Cg_endo -87.34 177.42 3.83 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 124.387 3.392 . . . . 0.0 110.604 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.4 ' H ' ' HG3' ' A' ' 14' ' ' GLN . 29.6 mt-30 -62.19 178.44 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.29 -0.881 . . . . 0.0 109.325 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.618 ' HA ' HD12 ' A' ' 31' ' ' LEU . 20.9 m-20 55.22 22.44 4.71 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.268 -0.895 . . . . 0.0 109.09 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.408 ' HA ' ' N ' ' A' ' 31' ' ' LEU . 1.4 m -160.5 125.83 3.89 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.3 -0.875 . . . . 0.0 109.528 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.52 169.3 21.31 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 109.286 -1.525 . . . . 0.0 109.286 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.66 173.07 7.09 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.071 -1.252 . . . . 0.0 109.888 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -169.92 110.82 0.43 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.325 -0.859 . . . . 0.0 109.003 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 13.2 ttt-85 -113.0 77.93 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.14 -0.975 . . . . 0.0 109.633 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.516 ' O ' HD12 ' A' ' 22' ' ' LEU . 85.9 m-70 -154.85 163.02 40.88 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.229 -0.92 . . . . 0.0 110.156 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 21' ' ' HIS . 0.7 OUTLIER 70.91 -40.0 0.46 Allowed 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.881 -0.512 . . . . 0.0 110.565 179.233 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.58 5.54 25.14 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 120.909 -1.119 . . . . 0.0 109.417 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 54.93 22.52 4.38 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.376 -0.828 . . . . 0.0 108.889 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -140.51 148.1 40.54 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.498 -0.751 . . . . 0.0 109.345 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' OE2' HG23 ' A' ' 8' ' ' VAL . 36.7 mt-10 -78.08 143.34 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.285 -0.885 . . . . 0.0 109.638 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -139.46 166.28 25.0 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.308 -0.87 . . . . 0.0 109.306 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -124.62 92.36 3.64 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.132 -0.98 . . . . 0.0 109.51 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -87.03 155.76 20.02 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -77.26 152.38 34.67 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 120.853 -1.155 . . . . 0.0 109.81 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.73 HD21 ' CE1' ' A' ' 87' ' ' PHE . 6.5 mt -59.45 -167.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.422 -0.799 . . . . 0.0 109.782 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.678 ' HG ' HG21 ' A' ' 90' ' ' ILE . 2.7 mt -77.91 163.88 25.62 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.256 -0.903 . . . . 0.0 109.169 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 57.82 17.32 4.13 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.22 -0.925 . . . . 0.0 109.428 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -122.71 177.7 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.309 -0.87 . . . . 0.0 109.333 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.09 -179.06 7.53 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.323 -0.86 . . . . 0.0 108.818 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -123.86 134.45 53.57 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.307 -0.871 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 65.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.313 -0.867 . . . . 0.0 109.206 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.04 -101.51 1.27 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.9 -0.56 5.96 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.244 -1.151 . . . . 0.0 109.335 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -128.84 131.88 47.73 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.247 -0.908 . . . . 0.0 109.222 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.9 m -79.59 151.55 30.57 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.191 -0.943 . . . . 0.0 109.646 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.9 m -131.46 170.11 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 121.191 -0.943 . . . . 0.0 109.826 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.0 145.68 40.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.357 -0.839 . . . . 0.0 109.752 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.11 67.76 75.07 Favored Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 121.314 -0.866 . . . . 0.0 109.559 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -34.34 -33.72 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.769 1 C-N-CA 126.013 4.475 . . . . 0.0 110.455 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -131.07 91.58 35.79 Favored Pre-proline 0 CA--C 1.532 0.258 0 O-C-N 121.363 -0.836 . . . . 0.0 109.404 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -87.33 169.73 7.08 Favored 'Trans proline' 0 N--CA 1.48 0.677 0 C-N-CA 125.147 3.898 . . . . 0.0 110.168 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.782 HG23 ' HG2' ' A' ' 51' ' ' GLU . 9.6 t -155.97 -175.31 5.36 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.229 -0.919 . . . . 0.0 109.659 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.3 m -111.05 -30.69 7.39 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -18.37 14.58 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 121.384 -0.822 . . . . 0.0 109.042 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.782 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.9 pt-20 -74.04 66.39 1.2 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.464 -0.772 . . . . 0.0 108.934 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.9 p30 42.08 53.44 4.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.123 0.487 . . . . 0.0 111.23 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.525 HD22 ' CA ' ' A' ' 58' ' ' ALA . 7.1 t30 62.34 67.41 0.73 Allowed 'General case' 0 N--CA 1.463 0.184 0 O-C-N 120.936 -1.102 . . . . 0.0 108.945 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.01 -49.18 5.14 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 108.711 -1.756 . . . . 0.0 108.711 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.71 -21.34 77.02 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.438 ' HB3' HD21 ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.86 152.87 27.44 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 121.132 -1.217 . . . . 0.0 110.177 -179.804 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -52.8 -92.3 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 O-C-N 121.452 -0.78 . . . . 0.0 109.918 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.525 ' CA ' HD22 ' A' ' 53' ' ' ASN . . . -151.89 -27.99 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.268 -0.895 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -113.28 -12.06 13.12 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.243 -0.911 . . . . 0.0 109.421 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.43 177.93 2.66 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.267 -0.895 . . . . 0.0 109.391 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 120.81 41.93 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.126 -0.984 . . . . 0.0 109.658 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.94 151.5 19.36 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.273 -0.892 . . . . 0.0 109.243 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.37 152.36 35.65 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.07 -1.019 . . . . 0.0 109.5 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -145.05 -18.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.272 -0.893 . . . . 0.0 109.574 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--N 1.33 -0.242 0 O-C-N 121.178 -0.951 . . . . 0.0 109.511 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.4 139.97 49.05 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.164 -0.96 . . . . 0.0 109.519 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -137.33 142.25 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 121.261 -0.899 . . . . 0.0 109.276 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.34 162.71 28.45 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.188 -0.945 . . . . 0.0 109.455 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.95 140.31 9.16 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.211 -0.931 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -144.43 116.92 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.329 -0.857 . . . . 0.0 109.091 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.2 86.52 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.269 -0.894 . . . . 0.0 109.091 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.403 ' H ' HG22 ' A' ' 79' ' ' THR . 4.4 t -81.13 29.6 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.296 -0.877 . . . . 0.0 109.384 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -91.75 176.41 2.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 121.306 -0.871 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.411 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 10.6 Cg_endo -86.68 136.46 4.47 Favored 'Trans proline' 0 N--CA 1.476 0.488 0 C-N-CA 125.265 3.977 . . . . 0.0 109.766 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 66.04 6.52 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.358 -0.839 . . . . 0.0 109.063 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 54.3 p -66.6 121.3 15.05 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.315 -0.866 . . . . 0.0 109.076 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 83' ' ' SER . 9.2 m-85 -143.33 79.47 14.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 O-C-N 121.247 -0.908 . . . . 0.0 109.447 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 24.6 Cg_exo -30.66 117.17 0.06 OUTLIER 'Trans proline' 0 N--CA 1.482 0.804 1 C-N-CA 125.96 4.44 . . . . 0.0 111.095 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.477 HD11 ' HD2' ' A' ' 5' ' ' HIS . 19.9 mt -75.95 -27.91 57.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.73 ' CE1' HD21 ' A' ' 31' ' ' LEU . 71.2 m-85 -121.0 -110.08 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.53 31.2 6.5 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.535 -0.728 . . . . 0.0 109.833 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.77 49.78 1.9 Allowed Glycine 0 CA--C 1.529 0.948 0 C-N-CA 119.656 -1.259 . . . . 0.0 110.149 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.751 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -129.45 1.54 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 O-C-N 121.158 -1.201 . . . . 0.0 109.036 179.431 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.751 ' CE2' HD12 ' A' ' 90' ' ' ILE . 94.8 m-85 -153.71 39.87 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.385 -0.822 . . . . 0.0 109.331 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 m -67.0 111.55 3.89 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.248 -0.907 . . . . 0.0 109.355 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--N 1.33 -0.267 0 O-C-N 121.195 -0.941 . . . . 0.0 109.521 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.438 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.167 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -60.04 -13.71 12.93 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.238 -0.914 . . . . 0.0 109.564 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 m 57.12 177.64 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.28 -0.887 . . . . 0.0 109.592 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.02 -69.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 121.175 -0.953 . . . . 0.0 109.491 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 -2.69 12.45 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.283 -0.885 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HZ2' ' HG2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -69.16 156.25 39.02 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.221 -0.924 . . . . 0.0 109.406 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -154.94 -23.63 0.12 Allowed 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.267 -0.896 . . . . 0.0 109.804 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.5 m 60.77 169.96 0.08 OUTLIER Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 121.163 -0.961 . . . . 0.0 109.087 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -85.94 169.69 8.87 Favored 'Trans proline' 0 N--CA 1.478 0.606 0 C-N-CA 125.064 3.843 . . . . 0.0 110.533 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -54.25 161.64 1.27 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.321 -0.862 . . . . 0.0 109.654 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.681 ' HA ' HD12 ' A' ' 31' ' ' LEU . 4.7 m-80 62.59 25.79 15.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.301 -0.875 . . . . 0.0 109.529 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -162.57 141.22 8.82 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.144 -0.972 . . . . 0.0 109.924 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.02 -177.67 17.79 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.77 159.04 15.51 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.233 -1.157 . . . . 0.0 109.84 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.73 ' HE2' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -157.1 97.21 1.65 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -124.21 84.13 2.24 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.142 -0.974 . . . . 0.0 110.359 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.423 ' CE1' ' HG ' ' A' ' 22' ' ' LEU . 5.6 p80 -175.63 -38.05 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.019 -1.05 . . . . 0.0 110.183 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.73 HD12 ' HE2' ' A' ' 19' ' ' PHE . 6.0 mt -75.04 -5.17 42.64 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.084 -1.01 . . . . 0.0 109.687 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -142.99 11.09 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.294 -0.879 . . . . 0.0 108.838 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 54.78 20.0 2.83 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.412 -0.805 . . . . 0.0 109.365 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mtt85 -138.31 149.15 45.38 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.394 -0.816 . . . . 0.0 108.918 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HG2' ' HZ2' ' A' ' 10' ' ' LYS . 3.8 mt-10 -81.84 116.62 21.59 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.168 -0.957 . . . . 0.0 109.965 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.21 160.81 28.31 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.352 -0.843 . . . . 0.0 109.28 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 m -113.99 108.31 16.85 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.272 -0.892 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -93.8 172.48 8.22 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.253 -0.904 . . . . 0.0 108.958 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.439 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.2 m -97.62 150.76 20.8 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 120.895 -1.128 . . . . 0.0 109.239 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.683 HD23 ' CD1' ' A' ' 90' ' ' ILE . 68.7 mt -61.0 -164.73 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.082 -1.011 . . . . 0.0 109.725 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.13 167.21 22.28 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.144 -0.972 . . . . 0.0 109.619 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 56.73 19.19 4.19 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.206 -0.934 . . . . 0.0 109.276 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 23.7 m-85 -128.29 175.45 8.46 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.319 -0.863 . . . . 0.0 109.429 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.432 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -159.53 -172.7 3.81 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -115.46 140.68 48.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.43 -0.794 . . . . 0.0 109.484 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.4 ' OE1' HG11 ' A' ' 42' ' ' VAL . 67.8 tt0 -163.93 87.28 0.5 Allowed 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.221 -0.924 . . . . 0.0 109.384 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.56 -117.91 5.93 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -120.52 12.74 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.302 -1.117 . . . . 0.0 109.419 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -146.66 139.61 25.37 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.239 -0.913 . . . . 0.0 109.183 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.5 m -70.41 150.8 45.87 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.129 -0.982 . . . . 0.0 109.15 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.432 HG23 ' HG3' ' A' ' 35' ' ' LYS . 32.1 m -126.33 174.21 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 O-C-N 121.141 -0.974 . . . . 0.0 109.687 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.7 149.41 50.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.254 -0.903 . . . . 0.0 109.454 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.73 67.69 51.28 Favored Pre-proline 0 C--N 1.331 -0.234 0 O-C-N 121.23 -0.919 . . . . 0.0 109.687 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -34.54 -43.77 0.38 Allowed 'Trans proline' 0 N--CA 1.482 0.807 1 C-N-CA 125.954 4.436 . . . . 0.0 110.461 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -129.07 89.0 49.81 Favored Pre-proline 0 CA--C 1.533 0.289 0 O-C-N 121.318 -0.864 . . . . 0.0 109.105 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -88.99 143.46 4.89 Favored 'Trans proline' 0 N--CA 1.477 0.541 1 C-N-CA 125.399 4.066 . . . . 0.0 110.604 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 t -131.86 -163.98 1.4 Allowed 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.341 -0.85 . . . . 0.0 109.159 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.45 -27.0 8.43 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.244 -0.91 . . . . 0.0 108.753 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.61 1.82 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -100.82 51.03 0.87 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 p30 41.56 72.12 0.18 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.285 0.564 . . . . 0.0 110.389 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.504 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER 61.68 89.48 0.08 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 122.598 1.189 . . . . 0.0 108.425 -179.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.81 35.13 4.58 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 107.973 -2.051 . . . . 0.0 107.973 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.67 -11.55 7.04 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 107.981 -2.048 . . . . 0.0 107.981 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.504 ' C ' HD22 ' A' ' 53' ' ' ASN . 62.4 m -111.09 128.74 55.97 Favored 'General case' 0 C--O 1.23 0.077 0 O-C-N 121.298 -1.119 . . . . 0.0 108.5 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.465 ' HB2' ' H ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -38.56 129.59 1.41 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.361 0.601 . . . . 0.0 111.03 -178.636 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.541 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . . . -52.63 -24.03 7.66 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.598 -0.689 . . . . 0.0 109.543 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.69 -16.94 19.72 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.204 -0.935 . . . . 0.0 109.474 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.465 ' H ' ' HB2' ' A' ' 57' ' ' ASP . . . -75.7 166.28 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.199 -0.938 . . . . 0.0 109.657 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -95.68 106.05 18.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.7 t -79.7 149.61 31.15 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.265 -0.897 . . . . 0.0 109.782 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.33 141.59 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.32 -0.862 . . . . 0.0 108.939 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -145.28 0.71 0.92 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.18 -0.95 . . . . 0.0 109.481 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--N 1.331 -0.196 0 O-C-N 121.23 -0.919 . . . . 0.0 109.385 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt . . . . . 0 CA--C 1.53 0.182 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -115.42 135.56 53.99 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.222 -0.924 . . . . 0.0 109.507 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.96 130.02 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 121.386 -0.821 . . . . 0.0 109.089 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.66 142.56 50.7 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.073 -1.017 . . . . 0.0 109.676 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 m -117.62 113.96 22.69 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.293 -0.88 . . . . 0.0 109.28 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -116.5 120.4 38.63 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.206 -0.934 . . . . 0.0 109.036 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 151.41 41.65 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.073 -1.017 . . . . 0.0 108.925 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -107.89 -4.27 18.12 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.199 -0.938 . . . . 0.0 109.513 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.67 170.14 16.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.26 -0.9 . . . . 0.0 109.278 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -87.0 -49.53 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.662 1 C-N-CA 125.335 4.023 . . . . 0.0 110.076 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -82.61 21.89 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.288 -0.883 . . . . 0.0 108.906 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.1 121.15 16.93 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.501 -0.749 . . . . 0.0 109.545 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.414 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 11.8 m-85 -140.0 87.57 12.42 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 121.322 -0.861 . . . . 0.0 108.967 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 24.9 Cg_exo -30.65 110.09 0.04 OUTLIER 'Trans proline' 0 N--CA 1.483 0.867 1 C-N-CA 125.764 4.31 . . . . 0.0 111.214 -179.461 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.424 ' HG ' ' CE1' ' A' ' 5' ' ' HIS . 1.1 mm? -67.76 -20.68 65.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -142.86 -105.68 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -111.55 23.51 13.85 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.086 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.3 25.99 5.6 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 119.458 -1.353 . . . . 0.0 110.704 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.683 ' CD1' HD23 ' A' ' 31' ' ' LEU . 2.0 pt -96.76 -29.26 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 120.883 -1.363 . . . . 0.0 108.806 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.67 ' CE2' HD12 ' A' ' 90' ' ' ILE . 5.0 m-85 -137.29 107.14 6.26 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.39 -0.819 . . . . 0.0 109.162 179.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 73.6 m -99.82 102.86 14.41 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.971 -1.08 . . . . 0.0 109.197 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.438 ' HB3' ' CD2' ' A' ' 5' ' ' HIS . 30.1 t . . . . . 0 C--N 1.329 -0.311 0 O-C-N 121.22 -0.925 . . . . 0.0 109.534 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.462 ' CD2' ' CE1' ' A' ' 21' ' ' HIS . 2.7 m-70 . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.2 -138.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.254 -0.904 . . . . 0.0 109.454 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.55 -173.75 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.297 -0.877 . . . . 0.0 109.561 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -126.45 -60.05 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 121.271 -0.893 . . . . 0.0 109.427 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -163.98 55.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.28 -0.887 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.593 ' HZ1' ' CA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -85.98 1.59 49.58 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.19 -0.944 . . . . 0.0 109.649 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.14 64.45 0.36 Allowed 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.447 -0.783 . . . . 0.0 109.968 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 28' ' ' CYS . 33.2 t -104.7 138.21 19.45 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -82.37 -179.95 5.01 Favored 'Trans proline' 0 N--CA 1.484 0.926 0 C-N-CA 124.338 3.359 . . . . 0.0 111.151 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -77.99 177.87 7.93 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 121.429 -0.794 . . . . 0.0 109.027 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.881 ' HA ' HD12 ' A' ' 31' ' ' LEU . 7.3 m120 58.97 27.95 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.098 -1.001 . . . . 0.0 108.409 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.96 136.69 17.06 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.412 ' HA3' ' CE2' ' A' ' 91' ' ' PHE . . . -100.36 168.25 20.77 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.12 171.06 8.84 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.318 -1.107 . . . . 0.0 109.872 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -169.89 89.42 0.17 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -117.36 86.88 2.6 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.09 -1.006 . . . . 0.0 110.219 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.552 ' CE1' HD11 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -176.31 175.45 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.153 -0.967 . . . . 0.0 109.609 179.299 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.552 HD11 ' CE1' ' A' ' 21' ' ' HIS . 11.9 mt 72.34 -46.65 0.65 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.05 9.47 15.97 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.202 -0.936 . . . . 0.0 108.474 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 53.07 25.84 4.42 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -120.66 141.99 49.86 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.339 -0.851 . . . . 0.0 109.491 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.469 ' C ' ' HZ1' ' A' ' 10' ' ' LYS . 16.9 mt-10 -83.74 122.42 28.62 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.341 -0.849 . . . . 0.0 109.619 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.593 ' CA ' ' HZ1' ' A' ' 10' ' ' LYS . 3.1 mt-10 -129.24 157.65 41.25 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.206 -0.933 . . . . 0.0 109.598 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -130.13 101.3 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 3.4 ttmm -88.54 174.08 8.29 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.512 -0.742 . . . . 0.0 109.116 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.497 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 15.2 m -85.6 162.43 18.85 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 120.918 -1.114 . . . . 0.0 109.325 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 15' ' ' ASN . 15.6 mt -77.99 -169.06 1.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.185 -0.947 . . . . 0.0 109.763 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.477 HD23 ' HA2' ' A' ' 55' ' ' GLY . 9.4 mt -70.0 154.51 41.85 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.322 -0.861 . . . . 0.0 109.586 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 57.44 16.72 3.39 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.319 -0.863 . . . . 0.0 109.546 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -126.47 114.16 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.215 -0.928 . . . . 0.0 109.411 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' CE ' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -93.13 -171.99 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.291 -0.88 . . . . 0.0 109.301 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.9 134.43 53.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.566 -0.709 . . . . 0.0 109.23 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -156.25 133.97 11.03 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.164 -0.96 . . . . 0.0 109.513 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.82 -91.2 0.26 Allowed Glycine 0 CA--C 1.529 0.929 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -149.62 -2.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.237 -1.155 . . . . 0.0 109.373 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -131.37 146.14 52.15 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.221 -0.924 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.5 m -74.46 144.09 44.38 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.236 -0.915 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.403 ' CG2' ' CE ' ' A' ' 35' ' ' LYS . 34.0 m -121.77 177.7 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 121.12 -0.987 . . . . 0.0 109.741 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -82.13 131.65 35.24 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.241 -0.912 . . . . 0.0 109.695 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.432 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 10.0 t30 -105.89 134.11 19.89 Favored Pre-proline 0 CA--C 1.534 0.336 0 O-C-N 121.333 -0.854 . . . . 0.0 109.417 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 19.6 Cg_endo -91.17 -15.29 1.58 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 124.783 3.656 . . . . 0.0 109.943 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -151.69 92.69 3.61 Favored Pre-proline 0 CA--C 1.534 0.343 0 O-C-N 121.439 -0.788 . . . . 0.0 109.215 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -89.65 143.59 4.39 Favored 'Trans proline' 0 N--CA 1.479 0.674 0 C-N-CA 125.251 3.967 . . . . 0.0 110.589 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.412 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 8.5 t -129.09 -163.56 1.3 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.272 -0.892 . . . . 0.0 109.354 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.6 m -111.91 -27.99 8.22 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.195 -0.94 . . . . 0.0 108.748 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -69.89 1.43 4.46 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.46 -0.775 . . . . 0.0 108.956 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 48' ' ' THR . 9.6 pt-20 -99.77 51.15 0.92 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 42.07 73.14 0.14 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.248 0.547 . . . . 0.0 110.365 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 6.6 t-20 60.07 85.85 0.1 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.714 0.769 . . . . 0.0 109.192 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.13 44.25 2.18 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 107.993 -2.043 . . . . 0.0 107.993 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.477 ' HA2' HD23 ' A' ' 32' ' ' LEU . . . 129.42 -17.73 5.55 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 107.927 -2.069 . . . . 0.0 107.927 -178.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 57' ' ' ASP . 55.1 m -111.8 110.29 20.56 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 121.43 -1.041 . . . . 0.0 109.093 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 39.4 t0 -28.19 139.1 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.364 0.602 . . . . 0.0 111.924 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.3 -32.73 62.66 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.423 -0.798 . . . . 0.0 108.96 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -84.63 -11.45 55.93 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.376 -0.827 . . . . 0.0 109.081 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.3 157.57 15.84 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.221 -0.924 . . . . 0.0 109.64 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -84.87 168.81 14.73 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.269 -0.895 . . . . 0.0 109.435 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.1 t -134.34 152.72 51.97 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.313 -0.867 . . . . 0.0 109.475 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -142.88 142.25 31.72 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.227 -0.921 . . . . 0.0 109.27 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.02 2.67 3.38 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.249 -0.907 . . . . 0.0 109.326 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.33 -0.257 0 O-C-N 121.416 -0.802 . . . . 0.0 109.445 179.932 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -79.18 105.9 10.83 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.293 -0.879 . . . . 0.0 109.219 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 mm -142.49 150.67 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 121.225 -0.922 . . . . 0.0 109.456 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.77 148.32 31.82 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.236 -0.915 . . . . 0.0 109.366 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -125.54 141.66 51.92 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.236 -0.915 . . . . 0.0 109.451 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.49 115.88 9.5 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.203 -0.936 . . . . 0.0 109.451 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 102.62 15.29 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.244 -0.91 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 p -66.11 -11.81 51.43 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.325 -0.859 . . . . 0.0 109.631 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 167.44 4.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 121.118 -0.989 . . . . 0.0 109.302 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.424 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 14.4 Cg_endo -88.4 -43.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.603 0 C-N-CA 125.228 3.952 . . . . 0.0 110.165 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.424 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -82.16 21.85 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.324 -0.86 . . . . 0.0 109.204 179.693 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.8 p -53.11 104.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.576 -0.702 . . . . 0.0 109.387 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.486 ' H ' ' H ' ' A' ' 93' ' ' SER . 5.3 m-85 -139.34 69.68 39.91 Favored Pre-proline 0 C--N 1.328 -0.358 0 O-C-N 121.408 -0.807 . . . . 0.0 109.211 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -31.37 141.59 0.04 OUTLIER 'Trans proline' 0 N--CA 1.481 0.752 1 C-N-CA 126.171 4.58 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' A' ' 91' ' ' PHE . 35.8 mt -103.3 -6.92 21.53 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.335 -0.853 . . . . 0.0 109.344 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.41 ' HB2' HD11 ' A' ' 90' ' ' ILE . 83.5 m-85 -152.01 -16.49 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.191 -0.943 . . . . 0.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.441 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER 167.46 -42.35 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.796 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.432 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . 167.98 9.31 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.798 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.3 pt -80.48 -12.29 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 O-C-N 121.193 -1.18 . . . . 0.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.798 ' CE2' HD12 ' A' ' 90' ' ' ILE . 52.8 m-85 -144.37 69.97 1.28 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.366 -0.834 . . . . 0.0 109.506 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 38.8 m -70.01 125.01 25.52 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.208 -0.932 . . . . 0.0 109.463 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.486 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 O-C-N 121.226 -0.921 . . . . 0.0 109.428 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.2 m80 . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.86 13.74 25.71 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.304 -0.872 . . . . 0.0 109.358 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 m 62.4 -167.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.236 -0.915 . . . . 0.0 109.424 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.0 t -102.39 -61.18 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 121.31 -0.869 . . . . 0.0 109.493 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.52 25.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.273 -0.892 . . . . 0.0 109.473 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -59.86 150.88 27.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.181 -0.949 . . . . 0.0 109.427 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -127.55 93.86 3.82 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.256 -0.903 . . . . 0.0 109.469 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 175.11 4.6 Favored Pre-proline 0 C--N 1.33 -0.259 0 O-C-N 121.317 -0.864 . . . . 0.0 109.345 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -89.44 167.73 5.14 Favored 'Trans proline' 0 N--CA 1.478 0.596 1 C-N-CA 125.541 4.161 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.6 176.43 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.262 -0.899 . . . . 0.0 109.462 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.868 ' HA ' HD12 ' A' ' 31' ' ' LEU . 8.8 m-20 55.36 21.21 4.04 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 121.201 -0.937 . . . . 0.0 109.313 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 t -159.65 155.19 25.71 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.236 -0.915 . . . . 0.0 109.79 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.05 162.67 25.64 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.5 149.08 24.62 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.187 -1.184 . . . . 0.0 109.719 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 48.2 t80 -153.12 138.28 17.38 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.315 -0.866 . . . . 0.0 109.25 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -78.99 115.32 18.6 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.239 -0.913 . . . . 0.0 109.526 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 139.33 40.66 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.29 -0.881 . . . . 0.0 109.377 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 2.7 mm? -62.44 -11.11 13.97 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.287 -0.883 . . . . 0.0 109.261 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.71 34.73 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.344 -0.848 . . . . 0.0 109.487 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 59.34 33.64 22.54 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.22 -0.925 . . . . 0.0 109.518 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -123.16 -179.39 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.18 -0.95 . . . . 0.0 109.418 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -139.37 130.82 27.02 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.323 -0.861 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.09 164.37 37.4 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.185 -0.947 . . . . 0.0 109.54 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.7 m -106.61 114.48 28.62 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.278 -0.889 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -101.86 137.71 39.8 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.259 -0.901 . . . . 0.0 109.246 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.3 m -55.52 167.12 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.156 -0.965 . . . . 0.0 109.4 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.868 HD12 ' HA ' ' A' ' 15' ' ' ASN . 18.1 mt -79.8 -168.5 1.62 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.164 -0.96 . . . . 0.0 109.651 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD12 HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -69.98 155.48 40.52 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.314 -0.867 . . . . 0.0 109.548 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.4 m120 58.32 16.78 4.25 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.353 -0.842 . . . . 0.0 109.378 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 10.0 m-85 -128.37 116.58 19.99 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.408 -0.807 . . . . 0.0 109.237 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -101.11 -176.97 3.31 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.162 -0.961 . . . . 0.0 109.025 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -109.98 136.65 48.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.444 -0.785 . . . . 0.0 109.302 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -169.94 147.61 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.25 -0.906 . . . . 0.0 109.587 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.0 -122.56 30.07 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -119.45 15.57 12.94 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.224 -1.163 . . . . 0.0 109.618 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -159.82 156.74 27.99 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.173 -0.954 . . . . 0.0 109.388 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.4 m -73.52 134.67 43.89 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.111 -0.993 . . . . 0.0 109.508 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.412 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 18.6 m -105.87 -179.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 121.247 -0.908 . . . . 0.0 109.647 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.46 144.42 39.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.439 -0.788 . . . . 0.0 109.754 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -127.5 75.81 77.24 Favored Pre-proline 0 CA--C 1.532 0.275 0 O-C-N 121.468 -0.77 . . . . 0.0 109.269 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -31.54 -36.25 0.05 OUTLIER 'Trans proline' 0 N--CA 1.483 0.856 1 C-N-CA 125.96 4.44 . . . . 0.0 111.289 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.02 91.45 8.03 Favored Pre-proline 0 CA--C 1.533 0.326 0 O-C-N 121.11 -0.994 . . . . 0.0 109.619 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -51.9 175.5 0.07 OUTLIER 'Trans proline' 0 N--CA 1.485 1.014 0 C-N-CA 124.041 3.161 . . . . 0.0 109.642 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.878 HG21 ' CG ' ' A' ' 51' ' ' GLU . 6.6 t -130.3 -166.06 1.63 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.036 -1.04 . . . . 0.0 109.732 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.9 m -148.8 -37.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -65.86 -5.66 9.78 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.546 -0.721 . . . . 0.0 109.079 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.878 ' CG ' HG21 ' A' ' 48' ' ' THR . 34.5 mm-40 -92.89 49.85 1.49 Allowed 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.147 -0.971 . . . . 0.0 108.61 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 6.4 p30 40.98 69.79 0.31 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.064 0.459 . . . . 0.0 110.413 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.8 OUTLIER 70.81 83.06 0.15 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.623 0.725 . . . . 0.0 109.354 -179.664 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.8 -23.82 31.3 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 108.604 -1.798 . . . . 0.0 108.604 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.428 ' H ' ' H ' ' A' ' 56' ' ' CYS . . . 162.75 11.71 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 107.481 -2.248 . . . . 0.0 107.481 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.53 ' O ' ' O ' ' A' ' 57' ' ' ASP . 61.1 m -95.68 69.76 2.97 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 118.958 -1.097 . . . . 0.0 110.43 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.545 ' HB3' ' H ' ' A' ' 60' ' ' ALA . 6.1 t0 39.28 120.71 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 122.292 1.044 . . . . 0.0 112.903 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.43 -17.53 1.25 Allowed 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.74 -1.225 . . . . 0.0 109.968 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -17.18 15.38 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.164 -0.96 . . . . 0.0 109.526 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.545 ' H ' ' HB3' ' A' ' 57' ' ' ASP . . . -87.53 170.41 11.35 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 121.084 -1.01 . . . . 0.0 109.651 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HD3' ' H ' ' A' ' 62' ' ' CYS . 0.0 OUTLIER -95.55 176.48 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.325 -0.859 . . . . 0.0 109.327 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.418 ' H ' ' HD3' ' A' ' 61' ' ' LYS . 3.3 t -134.08 136.0 43.64 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.304 -0.873 . . . . 0.0 109.391 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.63 140.11 52.3 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.181 -0.95 . . . . 0.0 109.471 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.04 18.27 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.289 -0.882 . . . . 0.0 109.768 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 CA--C 1.531 0.219 0 O-C-N 121.34 -0.85 . . . . 0.0 109.718 -179.935 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -113.92 123.69 50.37 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.187 -0.946 . . . . 0.0 109.671 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.8 mm -112.33 153.13 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 121.301 -0.874 . . . . 0.0 109.175 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.5 m -157.56 156.75 32.49 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.144 -0.972 . . . . 0.0 109.725 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.2 m -112.24 135.18 53.24 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.355 -0.841 . . . . 0.0 109.142 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -128.06 92.12 3.4 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.154 -0.966 . . . . 0.0 109.577 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.8 m -57.37 131.83 51.25 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.249 -0.907 . . . . 0.0 109.872 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 t -84.89 21.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.352 -0.842 . . . . 0.0 108.846 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.09 169.24 14.3 Favored Pre-proline 0 C--N 1.331 -0.219 0 O-C-N 121.418 -0.802 . . . . 0.0 109.161 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -83.56 126.78 4.19 Favored 'Trans proline' 0 N--CA 1.479 0.621 0 C-N-CA 124.79 3.66 . . . . 0.0 109.228 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.9 t70 72.63 -52.64 0.7 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.38 139.97 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.571 -0.706 . . . . 0.0 109.835 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.01 68.16 10.39 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 121.105 -0.997 . . . . 0.0 109.277 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -33.6 125.83 0.15 Allowed 'Trans proline' 0 N--CA 1.481 0.763 1 C-N-CA 126.055 4.504 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.617 HD21 ' O ' ' A' ' 93' ' ' SER . 84.6 mt -75.08 -30.38 60.92 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CG ' HD11 ' A' ' 90' ' ' ILE . 61.9 m-85 -128.55 -105.19 0.31 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -115.22 23.73 12.23 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.351 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.37 -19.57 8.58 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 119.567 -1.301 . . . . 0.0 110.55 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.758 ' CD1' HD23 ' A' ' 31' ' ' LEU . 4.3 pt -54.96 -32.48 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 O-C-N 121.092 -1.24 . . . . 0.0 109.235 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CB ' HD12 ' A' ' 86' ' ' LEU . 17.3 m-85 -128.59 -176.32 3.8 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.328 -0.858 . . . . 0.0 108.917 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -166.6 44.95 0.06 Allowed 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.416 -0.802 . . . . 0.0 109.16 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.617 ' O ' HD21 ' A' ' 86' ' ' LEU . 23.0 t . . . . . 0 C--N 1.33 -0.24 0 O-C-N 121.105 -0.997 . . . . 0.0 109.57 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 121.089 0.471 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -68.89 -20.08 64.24 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 120.984 -1.073 . . . . 0.0 109.56 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 10' ' ' LYS . 38.0 m 58.09 179.02 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.233 -0.917 . . . . 0.0 109.434 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.771 HG13 ' OE1' ' A' ' 26' ' ' GLU . 5.4 m -106.23 17.45 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 121.259 -0.901 . . . . 0.0 109.186 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt 64.0 76.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.377 -0.827 . . . . 0.0 109.444 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HZ3' ' HB3' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -102.04 -11.16 19.1 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.08 -1.013 . . . . 0.0 109.049 179.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 66.5 83.24 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.45 -0.781 . . . . 0.0 109.833 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -85.97 174.99 4.88 Favored Pre-proline 0 CA--C 1.531 0.237 0 O-C-N 121.113 -0.992 . . . . 0.0 109.045 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -88.2 161.09 7.06 Favored 'Trans proline' 0 N--CA 1.478 0.575 1 C-N-CA 125.39 4.06 . . . . 0.0 110.507 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -55.33 176.99 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.236 -0.915 . . . . 0.0 109.614 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 55.24 23.15 5.25 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.191 -0.943 . . . . 0.0 109.036 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -161.18 159.12 28.49 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.316 -0.865 . . . . 0.0 109.617 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.67 158.5 27.06 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.73 155.07 26.91 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.24 -1.153 . . . . 0.0 109.592 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 31.2 t80 -162.65 134.93 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.336 -0.852 . . . . 0.0 109.45 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -78.37 112.44 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.347 -0.845 . . . . 0.0 109.232 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.48 136.68 37.68 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.435 -0.79 . . . . 0.0 109.653 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.5 mm? -60.14 -14.27 16.28 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.335 -0.853 . . . . 0.0 109.287 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.41 29.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.271 -0.893 . . . . 0.0 109.461 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 64.54 33.03 11.22 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.374 -0.828 . . . . 0.0 109.679 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.21 -178.18 3.8 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.244 -0.91 . . . . 0.0 109.43 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.771 ' OE1' HG13 ' A' ' 8' ' ' VAL . 34.5 mt-10 -143.38 135.69 27.08 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.291 -0.88 . . . . 0.0 109.452 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.6 162.43 21.57 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.164 -0.96 . . . . 0.0 109.621 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 85.0 m -105.36 112.57 25.73 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.283 -0.885 . . . . 0.0 109.315 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.73 141.49 29.89 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.249 -0.907 . . . . 0.0 108.818 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 4.6 m -52.98 165.34 0.31 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.225 -0.922 . . . . 0.0 109.927 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 90' ' ' ILE . 48.5 mt -76.47 -165.67 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.213 -0.929 . . . . 0.0 110.232 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.527 ' HG ' HG22 ' A' ' 90' ' ' ILE . 3.3 mt -70.46 153.8 42.56 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 121.455 -0.778 . . . . 0.0 109.868 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 m120 54.09 20.34 2.46 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.305 -0.872 . . . . 0.0 109.697 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.448 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 11.8 m-85 -125.1 116.65 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.167 -0.958 . . . . 0.0 109.234 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.59 -171.72 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.132 -0.98 . . . . 0.0 109.306 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.39 143.2 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.585 -0.697 . . . . 0.0 109.414 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -157.37 121.27 4.2 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.175 -0.953 . . . . 0.0 109.39 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.21 -103.59 0.56 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.42 2.99 5.09 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.252 -1.146 . . . . 0.0 109.489 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 142.86 47.99 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.178 -0.951 . . . . 0.0 109.365 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.9 m -71.85 142.02 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.243 -0.911 . . . . 0.0 109.23 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -114.44 179.96 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 O-C-N 121.2 -0.937 . . . . 0.0 109.555 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.63 135.64 38.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.223 -0.923 . . . . 0.0 109.569 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.8 t-20 -116.41 124.85 29.04 Favored Pre-proline 0 CA--C 1.537 0.464 0 O-C-N 121.238 -0.914 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 18.1 Cg_endo -92.2 -16.28 1.09 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 124.773 3.649 . . . . 0.0 110.345 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.437 HD21 ' HD2' ' A' ' 72' ' ' LYS . 2.3 t-20 -129.28 97.61 25.23 Favored Pre-proline 0 CA--C 1.534 0.36 0 O-C-N 121.289 -0.882 . . . . 0.0 109.755 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -89.84 176.59 2.78 Favored 'Trans proline' 0 N--CA 1.478 0.572 0 C-N-CA 125.254 3.969 . . . . 0.0 109.813 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.816 HG21 ' HG3' ' A' ' 51' ' ' GLU . 10.3 t -153.07 -152.41 0.42 Allowed 'General case' 0 CA--C 1.533 0.307 0 O-C-N 120.93 -1.106 . . . . 0.0 110.311 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.605 ' N ' HG23 ' A' ' 48' ' ' THR . 85.3 m -150.0 -43.9 0.13 Allowed 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -67.61 2.55 1.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.558 -0.714 . . . . 0.0 110.022 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.816 ' HG3' HG21 ' A' ' 48' ' ' THR . 44.5 mt-10 -103.31 58.5 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 120.981 -1.075 . . . . 0.0 108.724 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 p30 41.06 72.51 0.16 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.163 0.506 . . . . 0.0 110.757 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.45 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 11.1 t-20 59.75 84.87 0.11 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.665 0.745 . . . . 0.0 109.314 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.13 -35.75 89.24 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 107.676 -2.169 . . . . 0.0 107.676 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.458 ' HA3' HD23 ' A' ' 32' ' ' LEU . . . -159.18 -4.45 0.06 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 107.379 -2.288 . . . . 0.0 107.379 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ASP . 96.5 m -111.62 119.24 38.02 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.635 -0.921 . . . . 0.0 109.419 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.468 ' HB3' ' HB2' ' A' ' 60' ' ' ALA . 24.4 t0 -27.43 138.89 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.433 0.635 . . . . 0.0 111.934 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.61 -32.7 59.22 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 121.352 -0.842 . . . . 0.0 109.094 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.418 ' OD1' HD11 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -86.68 -11.46 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.322 -0.861 . . . . 0.0 109.041 179.701 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . . . -85.76 149.26 25.4 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.284 -0.885 . . . . 0.0 109.376 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -78.88 105.22 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.238 -0.913 . . . . 0.0 109.205 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.1 t -83.91 125.39 31.96 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.359 -0.838 . . . . 0.0 109.424 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.08 141.29 52.12 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.222 -0.924 . . . . 0.0 109.536 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -151.88 -2.79 0.29 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.237 -0.914 . . . . 0.0 109.699 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 . . . . . 0 CA--C 1.53 0.208 0 O-C-N 121.159 -0.963 . . . . 0.0 109.509 -179.882 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.437 ' HD2' HD21 ' A' ' 46' ' ' ASN . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.198 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -105.89 125.29 50.81 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.255 -0.903 . . . . 0.0 109.466 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.2 mm -113.66 148.1 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 O-C-N 121.281 -0.887 . . . . 0.0 109.203 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.73 150.33 36.05 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.139 -0.976 . . . . 0.0 109.651 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 m -120.34 132.22 55.19 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.368 -0.832 . . . . 0.0 109.117 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -134.56 94.32 3.18 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.153 -0.967 . . . . 0.0 109.733 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.6 m -61.15 119.55 8.6 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.208 -0.933 . . . . 0.0 109.408 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 t -76.52 13.32 1.0 Allowed 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.314 -0.866 . . . . 0.0 109.65 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -83.0 168.47 22.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 O-C-N 121.227 -0.921 . . . . 0.0 109.166 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -82.8 128.05 5.06 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 124.86 3.707 . . . . 0.0 109.289 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 72.28 -52.1 0.7 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.403 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.3 OUTLIER 61.58 155.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.475 -0.766 . . . . 0.0 110.315 179.116 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.654 ' H ' ' H ' ' A' ' 93' ' ' SER . 56.0 m-85 -152.31 105.27 2.77 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -86.11 123.92 2.41 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 124.84 3.693 . . . . 0.0 110.246 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.8 mt -82.85 -23.08 33.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CD2' HD11 ' A' ' 90' ' ' ILE . 74.1 m-85 -128.19 -112.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.48 28.92 8.39 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.569 -0.707 . . . . 0.0 109.9 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.86 -9.83 27.56 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 119.608 -1.282 . . . . 0.0 110.375 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.578 HD11 ' CD2' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -55.5 -30.22 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 O-C-N 121.062 -1.258 . . . . 0.0 108.762 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.488 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 23.4 m-85 -132.4 161.54 33.37 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.368 -0.833 . . . . 0.0 108.886 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 33.5 m -135.84 162.0 34.04 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.141 -0.974 . . . . 0.0 109.282 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.654 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER . . . . . 0 CA--C 1.531 0.228 0 O-C-N 121.442 -0.786 . . . . 0.0 109.463 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.83 ' HB2' HD11 ' A' ' 86' ' ' LEU . 2.2 m170 . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -108.92 -0.43 19.7 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.36 -0.838 . . . . 0.0 109.235 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 m 63.23 172.35 0.16 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.306 -0.871 . . . . 0.0 109.493 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.95 127.69 68.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 121.304 -0.873 . . . . 0.0 109.369 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 58.37 38.66 25.83 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.282 -0.886 . . . . 0.0 109.397 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HG3' ' H ' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -95.68 -161.61 0.88 Allowed 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.273 -0.892 . . . . 0.0 109.462 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.464 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -143.31 19.88 1.9 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.318 -0.864 . . . . 0.0 109.348 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 t -54.55 114.18 6.38 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 121.304 -0.873 . . . . 0.0 109.183 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -84.41 -174.71 1.9 Allowed 'Trans proline' 0 N--CA 1.483 0.889 0 C-N-CA 124.786 3.657 . . . . 0.0 110.951 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -68.13 176.62 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.521 -0.737 . . . . 0.0 109.386 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.656 ' HA ' HD12 ' A' ' 31' ' ' LEU . 5.6 m120 55.18 22.99 5.01 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.214 -0.929 . . . . 0.0 108.868 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 p -163.45 127.14 2.77 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.5 -0.75 . . . . 0.0 109.219 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.84 149.86 19.31 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -81.54 168.86 17.78 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.187 -1.184 . . . . 0.0 109.365 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -158.2 153.93 26.49 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 6.5 ttp180 179.19 -144.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 5' ' ' HIS . 19.7 m-70 59.86 4.71 0.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.466 -0.771 . . . . 0.0 110.89 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 mt -120.38 7.11 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 120.92 -1.113 . . . . 0.0 108.371 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' H ' ' H ' ' A' ' 24' ' ' GLU . 44.9 p-10 -179.37 9.72 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' H ' ' H ' ' A' ' 23' ' ' ASP . 0.3 OUTLIER 67.82 9.13 6.9 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.959 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -177.55 52.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.072 -1.017 . . . . 0.0 109.935 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 20' ' ' ARG . 69.5 mm-40 -55.54 -90.06 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.406 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 170.78 -178.11 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.676 -0.64 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 t -107.94 108.24 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.319 -0.863 . . . . 0.0 108.877 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -87.48 161.25 17.92 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.232 -0.917 . . . . 0.0 109.237 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.432 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 39.7 m -77.71 164.85 24.9 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 120.977 -1.077 . . . . 0.0 109.274 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.913 HD21 ' CE1' ' A' ' 87' ' ' PHE . 4.8 mt -72.21 -170.77 0.66 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.181 -0.949 . . . . 0.0 109.759 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.573 ' HG ' HD13 ' A' ' 90' ' ' ILE . 5.7 mt -73.29 152.85 40.81 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.273 -0.892 . . . . 0.0 109.208 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 58.76 16.66 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.182 -0.949 . . . . 0.0 109.315 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.403 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 10.5 m-85 -123.01 113.56 19.22 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.404 -0.81 . . . . 0.0 109.205 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -98.63 -179.98 4.49 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.171 -0.955 . . . . 0.0 109.159 179.809 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -98.13 141.11 31.47 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.305 -0.872 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.36 126.03 1.91 Allowed 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.16 -0.962 . . . . 0.0 109.437 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.26 8.87 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -123.57 13.75 9.42 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.25 -1.147 . . . . 0.0 109.405 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.1 147.75 30.91 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.248 -0.907 . . . . 0.0 109.107 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.1 m -75.3 127.44 33.17 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.104 -0.997 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.469 HG22 ' HG3' ' A' ' 35' ' ' LYS . 2.5 m -99.28 -179.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 O-C-N 121.101 -0.999 . . . . 0.0 109.786 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.23 140.13 40.03 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.572 -0.705 . . . . 0.0 109.651 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -129.87 68.12 80.31 Favored Pre-proline 0 C--N 1.331 -0.204 0 O-C-N 121.327 -0.858 . . . . 0.0 109.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -33.41 -34.32 0.06 OUTLIER 'Trans proline' 0 N--CA 1.482 0.802 1 C-N-CA 126.019 4.479 . . . . 0.0 110.856 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -123.45 89.35 51.19 Favored Pre-proline 0 CA--C 1.532 0.284 0 O-C-N 121.144 -0.973 . . . . 0.0 109.746 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -90.13 173.5 3.37 Favored 'Trans proline' 0 N--CA 1.478 0.609 1 C-N-CA 125.455 4.103 . . . . 0.0 110.073 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.648 HG23 ' HG2' ' A' ' 51' ' ' GLU . 12.8 t -153.32 -175.67 5.45 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.099 -1.0 . . . . 0.0 109.827 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.8 m -108.0 -29.9 8.75 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -56.87 -18.27 12.51 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.401 -0.812 . . . . 0.0 108.914 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.648 ' HG2' HG23 ' A' ' 48' ' ' THR . 6.4 pt-20 -74.19 65.9 1.21 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 41.82 54.28 3.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.204 0.526 . . . . 0.0 111.205 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.495 HD22 ' HA ' ' A' ' 58' ' ' ALA . 7.0 t30 61.59 66.66 0.83 Allowed 'General case' 0 N--CA 1.462 0.146 0 O-C-N 120.984 -1.073 . . . . 0.0 108.916 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.13 -50.47 5.12 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.48 -20.52 76.73 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.424 ' HB3' HD21 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -112.28 145.66 39.59 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.069 -1.253 . . . . 0.0 110.462 -179.753 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.471 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -52.77 -91.19 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 O-C-N 121.443 -0.786 . . . . 0.0 109.839 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.495 ' HA ' HD22 ' A' ' 53' ' ' ASN . . . -151.04 -25.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.339 -0.851 . . . . 0.0 109.427 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.63 -13.85 13.24 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.227 -0.921 . . . . 0.0 109.563 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 171.56 9.07 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.163 -0.961 . . . . 0.0 109.536 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.4 121.1 41.32 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.303 -0.873 . . . . 0.0 109.431 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.98 147.97 23.45 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.247 -0.908 . . . . 0.0 109.432 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.84 152.21 26.57 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.186 -0.946 . . . . 0.0 109.662 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.61 0.47 5.52 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.252 -0.905 . . . . 0.0 109.519 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 C--N 1.33 -0.249 0 O-C-N 121.263 -0.898 . . . . 0.0 109.461 -179.951 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.37 105.33 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.25 -0.906 . . . . 0.0 109.299 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -143.86 133.56 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 O-C-N 121.286 -0.884 . . . . 0.0 109.423 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 160.29 38.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.227 -0.921 . . . . 0.0 109.536 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.2 m -152.22 147.35 26.29 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.311 -0.868 . . . . 0.0 109.666 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -147.29 104.15 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.262 -0.899 . . . . 0.0 109.38 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.0 m -69.36 131.6 45.08 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.296 -0.877 . . . . 0.0 109.429 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 79' ' ' THR . 6.4 t -93.13 28.39 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.229 -0.919 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -84.16 151.55 60.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 121.244 -0.91 . . . . 0.0 109.178 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.44 ' HB2' ' H ' ' A' ' 82' ' ' ASP . 3.5 Cg_exo -38.61 -93.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.482 0.846 0 C-N-CA 125.112 3.875 . . . . 0.0 109.994 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.44 ' H ' ' HB2' ' A' ' 81' ' ' PRO . 3.6 t0 -83.92 -8.39 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 120.724 -1.235 . . . . 0.0 107.791 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.6 OUTLIER 61.52 151.94 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 109.946 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 83' ' ' SER . 61.7 m-85 -155.04 88.18 3.22 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 120.994 -1.066 . . . . 0.0 108.862 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -90.12 133.0 1.94 Allowed 'Trans proline' 0 N--CA 1.476 0.454 1 C-N-CA 125.707 4.272 . . . . 0.0 110.7 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.83 HD11 ' HB2' ' A' ' 5' ' ' HIS . 98.7 mt -79.7 -9.08 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.913 ' CE1' HD21 ' A' ' 31' ' ' LEU . 86.4 m-85 -149.84 -113.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -105.18 21.88 16.35 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.446 -0.784 . . . . 0.0 109.957 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.51 48.12 0.76 Allowed Glycine 0 CA--C 1.53 0.979 0 C-N-CA 119.538 -1.315 . . . . 0.0 110.402 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.689 HD12 ' HE2' ' A' ' 91' ' ' PHE . 0.7 OUTLIER -127.57 7.48 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 121.118 -1.225 . . . . 0.0 109.186 179.246 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.689 ' HE2' HD12 ' A' ' 90' ' ' ILE . 96.8 m-85 -148.13 22.18 1.08 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.232 -0.917 . . . . 0.0 109.437 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.6 134.42 41.28 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.331 -0.855 . . . . 0.0 109.599 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 O-C-N 121.176 -0.953 . . . . 0.0 109.574 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -103.22 148.49 25.74 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.224 -0.923 . . . . 0.0 109.458 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.9 m -89.97 178.53 6.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.244 -0.91 . . . . 0.0 109.434 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 9' ' ' LYS . 3.2 m -105.03 -110.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 O-C-N 121.179 -0.951 . . . . 0.0 109.366 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' H ' HG23 ' A' ' 8' ' ' VAL . 2.2 ptmm? -96.5 14.44 24.62 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.22 -0.925 . . . . 0.0 109.316 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' CG ' ' H ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -59.98 -179.46 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.241 -0.912 . . . . 0.0 109.409 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.453 ' H ' ' CG ' ' A' ' 10' ' ' LYS . 1.6 pt20 -141.92 135.93 29.92 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.21 -0.931 . . . . 0.0 109.661 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -127.32 138.37 32.63 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -81.12 -174.61 2.29 Favored 'Trans proline' 0 N--CA 1.483 0.872 0 C-N-CA 124.21 3.273 . . . . 0.0 110.926 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.29 172.26 12.76 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.873 ' HA ' HD12 ' A' ' 31' ' ' LEU . 3.6 m-20 56.01 21.76 5.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.094 -1.004 . . . . 0.0 108.769 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 p -157.27 137.41 12.67 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.45 -0.781 . . . . 0.0 109.263 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.36 165.47 12.14 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.98 160.91 16.13 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.155 -1.203 . . . . 0.0 109.744 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -170.01 140.06 1.95 Allowed 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.283 -0.886 . . . . 0.0 109.338 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -92.02 116.25 28.76 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.187 -0.946 . . . . 0.0 109.294 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.407 ' CG ' ' HG2' ' A' ' 25' ' ' ARG . 7.9 m170 -54.25 140.71 32.01 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.33 -0.856 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 22' ' ' LEU . 6.7 mp -67.54 -2.22 6.24 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.298 -0.876 . . . . 0.0 109.367 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.47 33.39 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.281 -0.887 . . . . 0.0 109.228 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.18 61.97 2.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.285 -0.884 . . . . 0.0 109.498 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HG2' ' CG ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -150.94 124.97 9.26 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.219 -0.926 . . . . 0.0 109.132 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -87.92 118.69 27.64 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.124 -0.985 . . . . 0.0 109.798 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.84 165.41 31.59 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.275 -0.891 . . . . 0.0 109.369 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.49 125.53 44.38 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.279 -0.888 . . . . 0.0 108.86 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 -179.22 4.49 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.446 -0.784 . . . . 0.0 109.706 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 8.4 m -83.35 166.48 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.289 -0.882 . . . . 0.0 109.926 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.873 HD12 ' HA ' ' A' ' 15' ' ' ASN . 16.4 mt -76.49 -167.21 0.76 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.364 -0.835 . . . . 0.0 109.807 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.532 ' CD1' HG22 ' A' ' 90' ' ' ILE . 1.1 mt -73.43 151.98 40.94 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.296 -0.878 . . . . 0.0 109.386 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 58.22 17.4 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.29 -0.882 . . . . 0.0 109.319 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 11.6 m-85 -124.88 116.96 23.05 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.419 -0.801 . . . . 0.0 109.087 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.547 ' HZ3' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -96.46 -176.59 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -122.49 138.71 54.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.506 -0.746 . . . . 0.0 109.299 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -155.08 87.91 1.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.107 -0.996 . . . . 0.0 109.699 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.01 -104.27 2.43 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.89 2.78 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.238 -1.154 . . . . 0.0 109.575 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -137.19 145.85 44.19 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.207 -0.933 . . . . 0.0 109.424 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.4 m -86.47 139.92 30.43 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.227 -0.92 . . . . 0.0 109.543 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.47 -179.43 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 O-C-N 121.279 -0.888 . . . . 0.0 109.484 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.35 142.28 48.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.265 -0.897 . . . . 0.0 109.398 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -120.84 128.87 25.56 Favored Pre-proline 0 CA--C 1.537 0.453 0 O-C-N 121.179 -0.95 . . . . 0.0 109.447 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -92.17 -16.64 1.04 Allowed 'Trans proline' 0 N--CA 1.478 0.608 0 C-N-CA 124.76 3.64 . . . . 0.0 110.029 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -145.39 97.99 4.66 Favored Pre-proline 0 CA--C 1.534 0.327 0 O-C-N 121.347 -0.845 . . . . 0.0 109.153 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -88.09 123.19 1.64 Allowed 'Trans proline' 0 N--CA 1.478 0.599 0 C-N-CA 125.064 3.843 . . . . 0.0 110.646 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 49' ' ' CYS . 54.9 m -89.87 163.25 15.08 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 121.399 -0.813 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.519 ' N ' HG22 ' A' ' 48' ' ' THR . 98.5 m -112.78 -38.45 4.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.197 -0.939 . . . . 0.0 108.574 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.38 -8.07 5.43 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -81.88 -164.09 0.75 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -79.64 64.93 4.65 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.049 -1.032 . . . . 0.0 108.85 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 60.2 83.48 0.14 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.19 -35.81 55.7 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 108.291 -1.924 . . . . 0.0 108.291 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.447 ' H ' ' H ' ' A' ' 56' ' ' CYS . . . -169.89 -1.09 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 107.562 -2.215 . . . . 0.0 107.562 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.447 ' H ' ' H ' ' A' ' 55' ' ' GLY . 75.2 m -112.29 122.59 48.16 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.583 -0.951 . . . . 0.0 109.051 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 56' ' ' CYS . 0.0 OUTLIER -25.83 127.25 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.351 0.595 . . . . 0.0 111.855 -179.005 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.43 -25.41 15.88 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.577 -0.702 . . . . 0.0 109.747 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.482 ' OD1' HD21 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -98.6 -3.67 35.71 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 121.208 -0.932 . . . . 0.0 109.685 -179.75 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . . . -89.08 167.13 13.39 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.087 -1.008 . . . . 0.0 109.716 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -88.83 120.13 29.95 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.289 -0.882 . . . . 0.0 108.813 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.04 148.34 22.26 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.226 -0.921 . . . . 0.0 109.931 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.611 ' OG1' HG23 ' A' ' 75' ' ' THR . 0.5 OUTLIER -143.08 140.27 30.83 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.243 -0.911 . . . . 0.0 109.272 179.49 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.51 0.91 3.36 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.371 -0.831 . . . . 0.0 109.542 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.331 -0.238 0 O-C-N 121.233 -0.917 . . . . 0.0 109.451 179.872 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.66 106.34 18.27 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.196 -0.94 . . . . 0.0 109.501 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.545 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.4 mm -145.58 107.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 O-C-N 121.245 -0.91 . . . . 0.0 109.339 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.611 HG23 ' OG1' ' A' ' 63' ' ' THR . 1.5 t -113.8 168.97 9.34 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.108 -0.995 . . . . 0.0 109.882 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.2 m -127.85 156.99 41.67 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.524 -0.735 . . . . 0.0 109.302 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -159.47 91.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.266 -0.896 . . . . 0.0 109.413 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 83' ' ' SER . 72.1 m -54.14 135.21 43.99 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.229 -0.919 . . . . 0.0 109.264 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.8 t -90.59 -19.57 23.56 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.231 -0.918 . . . . 0.0 109.797 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -54.99 170.58 0.35 Allowed Pre-proline 0 CA--C 1.532 0.277 0 O-C-N 121.18 -0.95 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -88.52 -54.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.478 0.581 1 C-N-CA 125.409 4.073 . . . . 0.0 110.239 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.82 21.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.332 -0.855 . . . . 0.0 109.042 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.409 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -82.67 131.33 35.21 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.529 -0.732 . . . . 0.0 109.541 -179.71 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.443 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 20.5 m-85 -145.69 95.97 4.83 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 27.8 Cg_exo -29.8 106.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.484 0.927 1 C-N-CA 125.686 4.257 . . . . 0.0 111.594 -178.555 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.661 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -66.39 -63.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 179.073 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.748 ' CE2' HD21 ' A' ' 31' ' ' LEU . 14.0 m-85 -81.09 -116.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.99 29.88 7.38 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.85 22.78 7.8 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.532 HG22 ' CD1' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -96.93 -36.85 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.18 -1.188 . . . . 0.0 109.755 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.661 ' CE2' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -143.93 110.35 5.5 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.085 -1.009 . . . . 0.0 109.18 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.5 m -82.98 158.83 22.4 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 120.957 -1.089 . . . . 0.0 109.525 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 O-C-N 121.272 -0.893 . . . . 0.0 109.452 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.493 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 9.7 m-70 . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -79.6 14.55 1.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.242 -0.911 . . . . 0.0 109.409 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m 52.63 -153.11 0.24 Allowed 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.51 -0.744 . . . . 0.0 109.848 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 8' ' ' VAL . 18.1 t -120.38 38.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.33 -0.856 . . . . 0.0 109.24 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.53 51.35 1.52 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.257 -0.902 . . . . 0.0 109.203 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.671 ' HZ1' ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -80.91 -121.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.161 -0.962 . . . . 0.0 109.725 -179.788 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -135.64 122.79 21.59 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.087 -1.008 . . . . 0.0 110.01 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 23.5 t -151.5 135.43 9.58 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 18.0 Cg_endo -88.03 -171.53 0.67 Allowed 'Trans proline' 0 N--CA 1.482 0.834 0 C-N-CA 124.542 3.495 . . . . 0.0 111.309 -179.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -76.25 175.65 8.84 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.684 ' HA ' HD12 ' A' ' 31' ' ' LEU . 4.1 m-20 55.62 21.13 4.3 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.197 -0.939 . . . . 0.0 108.941 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.91 146.9 26.59 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.457 -0.777 . . . . 0.0 109.164 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.28 169.24 12.85 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 t -92.16 145.65 24.34 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.219 -1.165 . . . . 0.0 110.031 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 2.7 t80 -155.51 118.21 4.25 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.379 -0.826 . . . . 0.0 108.803 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.493 ' HE ' ' HA ' ' A' ' 5' ' ' HIS . 16.4 ptp180 -83.52 14.84 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.182 -0.949 . . . . 0.0 109.721 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.51 151.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.641 0.734 . . . . 0.0 110.116 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.913 ' H ' HD12 ' A' ' 22' ' ' LEU . 2.1 mp -80.34 3.14 22.09 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.134 -0.979 . . . . 0.0 108.609 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.96 24.56 11.94 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.459 -0.775 . . . . 0.0 109.739 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.1 58.26 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.096 -1.003 . . . . 0.0 109.551 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.05 113.84 11.11 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.193 -0.942 . . . . 0.0 109.215 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.39 123.34 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.173 -0.954 . . . . 0.0 109.283 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -154.9 159.21 40.3 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.12 -0.987 . . . . 0.0 109.912 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.671 ' N ' ' HZ1' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -119.15 105.93 11.87 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 2.1 ttmm -82.44 177.68 8.62 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.411 -0.806 . . . . 0.0 110.066 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.475 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 21.7 m -94.93 167.68 11.26 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.228 -0.92 . . . . 0.0 109.147 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 15' ' ' ASN . 12.3 mt -84.27 -172.36 4.12 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.159 -0.963 . . . . 0.0 109.36 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 88' ' ' ASP . 0.9 OUTLIER -69.56 155.56 40.29 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.176 -0.952 . . . . 0.0 109.164 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 61.54 13.24 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.258 -0.901 . . . . 0.0 109.287 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 15' ' ' ASN . 12.1 m-85 -128.28 116.27 19.59 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.392 -0.817 . . . . 0.0 109.243 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HG3' HG23 ' A' ' 42' ' ' VAL . 1.1 ptpt -99.11 -169.97 1.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.286 -0.884 . . . . 0.0 109.307 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.0 150.79 26.12 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.719 -0.613 . . . . 0.0 109.394 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.31 113.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.231 -0.918 . . . . 0.0 109.508 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.54 -94.98 0.24 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -140.1 2.63 1.93 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.249 -1.148 . . . . 0.0 109.428 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -131.9 139.46 48.77 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.9 m -69.69 135.91 50.42 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.191 -0.943 . . . . 0.0 109.296 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.569 HG23 ' HG3' ' A' ' 35' ' ' LYS . 27.6 m -109.13 179.31 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 121.313 -0.867 . . . . 0.0 109.536 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.37 120.62 25.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.278 -0.889 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.471 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.8 t-20 -76.14 128.88 81.95 Favored Pre-proline 0 CA--C 1.536 0.423 0 O-C-N 121.333 -0.854 . . . . 0.0 109.399 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.2 Cg_endo -90.53 -16.21 1.67 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.843 3.695 . . . . 0.0 110.121 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.51 HD21 ' HG3' ' A' ' 72' ' ' LYS . 11.4 t-20 -157.25 58.17 1.47 Allowed Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 121.349 -0.844 . . . . 0.0 109.511 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -38.37 125.9 0.92 Allowed 'Trans proline' 0 N--CA 1.483 0.871 1 C-N-CA 125.383 4.055 . . . . 0.0 110.367 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.6 t -126.41 -167.38 1.71 Allowed 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.133 -0.979 . . . . 0.0 109.317 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -109.94 -27.22 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.289 -0.882 . . . . 0.0 108.839 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -69.7 0.74 5.07 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.405 -0.809 . . . . 0.0 108.85 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -98.75 51.98 0.98 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.72 72.14 0.18 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.263 0.554 . . . . 0.0 110.491 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 4.6 t30 59.96 85.24 0.11 Allowed 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.393 -0.817 . . . . 0.0 109.131 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.26 43.8 2.66 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 107.905 -2.078 . . . . 0.0 107.905 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.441 ' HA2' HG22 ' A' ' 90' ' ' ILE . . . 129.12 -18.78 5.52 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 107.84 -2.104 . . . . 0.0 107.84 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASP . 33.3 m -111.22 112.04 23.54 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.524 -0.986 . . . . 0.0 109.149 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 18.0 t0 -30.11 141.39 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.383 0.611 . . . . 0.0 112.003 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.81 -28.75 51.65 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.799 ' HB2' HD21 ' A' ' 22' ' ' LEU . 1.3 t0 -91.68 -15.78 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.406 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -86.14 159.38 19.53 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 121.358 -0.839 . . . . 0.0 109.585 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -88.2 156.84 19.01 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.337 -0.852 . . . . 0.0 109.334 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.4 t -126.85 141.54 51.79 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.173 -0.954 . . . . 0.0 109.429 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.03 139.93 47.47 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.266 -0.896 . . . . 0.0 109.436 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -130.81 16.08 5.27 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.335 -0.853 . . . . 0.0 109.461 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.33 -0.255 0 O-C-N 121.462 -0.773 . . . . 0.0 109.56 -179.69 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HG3' HD21 ' A' ' 46' ' ' ASN . 54.9 mmtt . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -101.61 122.32 43.64 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.168 -0.957 . . . . 0.0 109.552 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 74' ' ' ILE . 0.9 OUTLIER -116.17 143.77 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 121.368 -0.833 . . . . 0.0 109.005 179.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.88 151.62 38.16 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.185 -0.947 . . . . 0.0 109.609 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.2 m -128.13 145.07 51.13 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.303 -0.873 . . . . 0.0 109.368 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.82 113.38 5.33 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.375 -0.828 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -81.39 126.32 31.48 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.234 -0.916 . . . . 0.0 109.28 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.75 -18.55 32.71 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.236 -0.915 . . . . 0.0 109.491 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -55.07 168.58 0.51 Allowed Pre-proline 0 C--N 1.329 -0.291 0 O-C-N 121.244 -0.91 . . . . 0.0 109.34 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.401 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 13.1 Cg_endo -88.03 -42.99 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 125.191 3.928 . . . . 0.0 110.157 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.401 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 32.1 m-20 -82.23 20.49 1.04 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.22 -0.925 . . . . 0.0 109.009 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 55.9 p -53.77 101.46 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 121.526 -0.734 . . . . 0.0 109.532 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -133.44 68.28 76.66 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 121.329 -0.857 . . . . 0.0 109.073 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -30.68 116.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.481 0.771 1 C-N-CA 126.367 4.711 . . . . 0.0 111.158 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.1 mt -77.33 -8.44 57.66 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -144.71 -109.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.418 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -108.98 17.08 22.11 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 121.62 -0.675 . . . . 0.0 109.728 179.577 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.3 -8.22 15.86 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 119.663 -1.256 . . . . 0.0 110.287 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.811 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.9 pt -59.94 -22.69 24.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 O-C-N 120.91 -1.347 . . . . 0.0 109.495 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.811 ' CE2' HD12 ' A' ' 90' ' ' ILE . 33.1 m-85 -140.84 107.24 5.27 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.115 -0.991 . . . . 0.0 109.659 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.6 m -105.34 128.07 53.29 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.243 -0.91 . . . . 0.0 109.288 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 O-C-N 121.2 -0.938 . . . . 0.0 109.439 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.486 ' HB2' HD11 ' A' ' 86' ' ' LEU . 0.7 OUTLIER . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -76.95 -161.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 171.1 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.284 -0.885 . . . . 0.0 109.264 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 t -103.55 93.7 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 121.176 -0.952 . . . . 0.0 109.56 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.36 77.89 0.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.37 -0.831 . . . . 0.0 109.403 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.533 ' HZ1' ' CB ' ' A' ' 28' ' ' CYS . 4.3 tttp -149.33 -50.95 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.254 -0.904 . . . . 0.0 109.437 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.34 -176.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.191 -0.943 . . . . 0.0 109.173 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 178.98 162.68 0.71 Allowed Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 121.057 -1.027 . . . . 0.0 109.484 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -37.42 167.74 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 1 C-N-CA 126.331 4.688 . . . . 0.0 111.923 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -83.14 177.8 8.4 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.198 -0.938 . . . . 0.0 108.906 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.695 ' HA ' HD12 ' A' ' 31' ' ' LEU . 13.9 m120 56.11 22.4 5.95 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 121.06 -1.025 . . . . 0.0 108.577 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.405 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 28.4 p -153.94 131.1 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.87 166.47 16.68 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 t -78.57 164.43 24.68 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.436 -1.038 . . . . 0.0 109.539 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 6.1 t80 -170.29 105.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.263 -0.898 . . . . 0.0 109.069 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 38.1 ttp85 -105.9 77.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.17 -0.956 . . . . 0.0 109.339 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 88.3 m-70 -155.41 -178.75 7.49 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.418 -0.801 . . . . 0.0 109.911 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.4 mt 70.9 -46.07 0.63 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.068 0.461 . . . . 0.0 110.222 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -117.76 13.26 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.161 -0.962 . . . . 0.0 108.646 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 53.62 22.87 3.26 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.24 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -127.96 154.52 45.48 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.349 -0.845 . . . . 0.0 109.6 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.18 127.66 33.38 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.37 -0.831 . . . . 0.0 109.66 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -140.24 179.17 6.8 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.316 -0.865 . . . . 0.0 109.38 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.533 ' CB ' ' HZ1' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -135.59 109.65 8.25 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.297 -0.877 . . . . 0.0 109.19 179.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 9.1 tttt -97.7 161.66 13.65 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.273 -0.892 . . . . 0.0 108.825 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -76.73 158.64 30.81 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 120.96 -1.088 . . . . 0.0 109.85 -179.664 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 15' ' ' ASN . 43.3 mt -73.42 -164.89 0.22 Allowed 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.424 -0.798 . . . . 0.0 109.86 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.76 153.23 41.22 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.415 -0.803 . . . . 0.0 109.508 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 61.95 11.73 4.39 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.282 -0.886 . . . . 0.0 109.411 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.446 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 11.9 m-85 -123.17 120.11 32.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.48 -0.763 . . . . 0.0 108.965 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -103.27 -174.27 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.13 -0.981 . . . . 0.0 109.589 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.81 146.68 28.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.482 -0.761 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -151.02 78.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.262 -0.899 . . . . 0.0 109.435 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.71 -102.23 2.55 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -122.98 7.91 9.28 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.207 -1.172 . . . . 0.0 109.328 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -139.56 129.57 25.0 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.209 -0.932 . . . . 0.0 109.461 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.2 m -72.74 145.64 46.98 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.259 -0.901 . . . . 0.0 109.245 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 m -120.79 179.93 2.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 O-C-N 121.135 -0.978 . . . . 0.0 109.556 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.55 121.14 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.287 -0.883 . . . . 0.0 109.46 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -86.82 122.08 71.58 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 121.338 -0.851 . . . . 0.0 109.326 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -90.58 -16.98 1.49 Allowed 'Trans proline' 0 N--CA 1.479 0.62 0 C-N-CA 124.713 3.609 . . . . 0.0 110.277 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.01 87.29 6.24 Favored Pre-proline 0 CA--C 1.532 0.276 0 O-C-N 121.239 -0.913 . . . . 0.0 109.408 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -90.98 151.15 3.89 Favored 'Trans proline' 0 N--CA 1.476 0.495 1 C-N-CA 125.504 4.136 . . . . 0.0 110.329 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.772 HG22 ' HG3' ' A' ' 51' ' ' GLU . 9.5 t -144.77 -129.09 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.191 -0.943 . . . . 0.0 109.51 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.635 ' N ' HG23 ' A' ' 48' ' ' THR . 3.2 m -137.02 -36.6 0.67 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -68.27 -1.77 6.91 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.772 ' HG3' HG22 ' A' ' 48' ' ' THR . 5.1 mm-40 -90.96 50.72 1.83 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.92 70.11 0.31 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.149 0.499 . . . . 0.0 110.152 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 5.2 t-20 60.75 81.26 0.19 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.91 45.69 3.51 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.498 ' HA2' HG22 ' A' ' 90' ' ' ILE . . . 121.83 -15.01 9.04 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 108.206 -1.958 . . . . 0.0 108.206 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ASP . 26.5 m -110.84 110.05 20.5 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.431 -1.041 . . . . 0.0 108.79 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.457 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 17.2 t0 -27.73 138.08 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 121.361 0.6 . . . . 0.0 111.888 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.53 -30.2 40.5 Favored 'General case' 0 CA--C 1.528 0.126 0 O-C-N 121.477 -0.765 . . . . 0.0 109.042 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -90.23 -15.84 30.57 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.494 -0.754 . . . . 0.0 109.043 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -86.58 166.12 15.66 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.303 -0.873 . . . . 0.0 109.462 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -91.09 169.0 11.23 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.401 -0.812 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 51.3 t -136.69 144.52 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.288 -0.883 . . . . 0.0 109.381 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.61 140.11 48.07 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.192 -0.942 . . . . 0.0 109.308 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.13 -6.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.341 -0.85 . . . . 0.0 109.48 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 . . . . . 0 C--N 1.33 -0.281 0 O-C-N 121.284 -0.885 . . . . 0.0 109.319 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -129.35 107.31 9.42 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.344 -0.848 . . . . 0.0 109.456 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.435 HD11 ' HA ' ' A' ' 48' ' ' THR . 0.4 OUTLIER -144.91 148.59 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 121.277 -0.889 . . . . 0.0 109.536 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 m -137.17 163.61 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.297 -0.877 . . . . 0.0 109.397 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.7 m -131.84 138.31 48.44 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.265 -0.897 . . . . 0.0 109.529 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -135.47 98.43 3.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.333 -0.854 . . . . 0.0 109.324 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.29 83.68 1.9 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.228 -0.92 . . . . 0.0 109.605 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 t -81.36 39.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.222 -0.924 . . . . 0.0 109.08 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 7.8 mttt -106.44 175.85 1.91 Allowed Pre-proline 0 C--N 1.329 -0.302 0 O-C-N 121.416 -0.803 . . . . 0.0 109.318 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 11.3 Cg_endo -87.43 138.42 4.62 Favored 'Trans proline' 0 N--CA 1.476 0.475 0 C-N-CA 125.239 3.959 . . . . 0.0 109.805 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.07 5.36 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.338 -0.851 . . . . 0.0 109.306 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.7 p -65.22 110.53 2.6 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.288 -0.882 . . . . 0.0 109.331 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -131.5 79.9 68.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.283 -0.885 . . . . 0.0 109.539 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -30.8 112.23 0.04 OUTLIER 'Trans proline' 0 N--CA 1.482 0.824 1 C-N-CA 125.978 4.452 . . . . 0.0 111.221 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 5' ' ' HIS . 14.0 mt -73.03 -34.77 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CD2' HD11 ' A' ' 90' ' ' ILE . 57.9 m-85 -113.67 -105.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.02 23.9 12.15 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.615 -0.678 . . . . 0.0 109.909 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 114.97 -14.28 19.4 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 119.64 -1.267 . . . . 0.0 110.432 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.847 HD12 ' CE2' ' A' ' 91' ' ' PHE . 9.6 pt -56.87 -28.22 27.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 O-C-N 120.905 -1.35 . . . . 0.0 109.275 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.847 ' CE2' HD12 ' A' ' 90' ' ' ILE . 26.3 m-85 -136.39 104.64 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.258 -0.901 . . . . 0.0 109.513 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.1 m -113.62 96.8 6.06 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.181 -0.949 . . . . 0.0 109.36 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 O-C-N 121.196 -0.94 . . . . 0.0 109.365 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -103.91 -5.32 22.41 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.256 -0.902 . . . . 0.0 109.385 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 65.54 149.98 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.235 -0.916 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.58 HG12 ' N ' ' A' ' 9' ' ' LYS . 79.8 t -57.4 -96.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 O-C-N 121.359 -0.838 . . . . 0.0 109.675 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.58 ' N ' HG12 ' A' ' 8' ' ' VAL . 2.6 tttm -124.83 -75.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.222 -0.924 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.527 ' HZ1' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER 71.56 -45.4 0.62 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.77 -0.581 . . . . 0.0 109.81 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.48 56.8 1.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.008 -1.058 . . . . 0.0 109.533 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m -66.29 174.35 1.78 Allowed Pre-proline 0 CA--C 1.532 0.286 0 O-C-N 121.267 -0.896 . . . . 0.0 109.022 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -87.27 -178.24 2.38 Favored 'Trans proline' 0 N--CA 1.478 0.594 0 C-N-CA 125.247 3.964 . . . . 0.0 110.477 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.08 174.51 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.284 -0.885 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.413 ' HA ' HD12 ' A' ' 31' ' ' LEU . 8.6 m120 56.41 19.74 4.26 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.205 -0.934 . . . . 0.0 109.284 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 1.9 p -156.0 136.31 13.05 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.326 -0.859 . . . . 0.0 109.346 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.23 161.8 12.84 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.92 139.31 39.21 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.376 -1.073 . . . . 0.0 109.32 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.503 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 43.6 t80 -143.75 131.99 21.95 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.155 -0.965 . . . . 0.0 109.542 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -83.89 116.04 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.253 -0.904 . . . . 0.0 109.093 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.02 139.87 33.21 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.349 -0.844 . . . . 0.0 109.556 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.944 ' H ' HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -65.69 -8.33 20.25 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.291 -0.881 . . . . 0.0 109.012 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.11 30.35 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.379 -0.826 . . . . 0.0 109.391 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 63.25 39.11 9.9 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.221 -0.924 . . . . 0.0 109.56 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -127.74 177.66 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.248 -0.907 . . . . 0.0 109.374 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -132.52 136.9 46.94 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.205 -0.935 . . . . 0.0 109.568 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.527 ' N ' ' HZ1' ' A' ' 10' ' ' LYS . 2.3 mt-10 -162.3 159.56 25.66 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.299 -0.876 . . . . 0.0 109.298 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.7 m -105.27 120.24 41.06 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.242 -0.911 . . . . 0.0 109.256 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 136.74 43.44 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.167 -0.958 . . . . 0.0 109.099 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 3.3 m -55.14 155.07 5.03 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.218 -0.926 . . . . 0.0 109.63 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 15' ' ' ASN . 35.3 mt -68.26 -166.01 0.06 Allowed 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.254 -0.904 . . . . 0.0 109.832 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.514 ' CD1' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -72.95 158.69 34.99 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.341 -0.849 . . . . 0.0 109.594 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 57.23 17.55 3.68 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.294 -0.879 . . . . 0.0 109.399 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 21.8 m-85 -130.22 119.06 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.36 -0.838 . . . . 0.0 109.509 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -98.52 -173.51 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.185 -0.947 . . . . 0.0 109.164 179.438 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -119.54 134.55 55.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.548 -0.72 . . . . 0.0 109.575 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -136.03 75.26 1.54 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.327 -0.858 . . . . 0.0 109.34 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.02 -89.71 1.22 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.1 3.76 2.21 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.223 -1.163 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.94 118.54 21.81 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.353 -0.842 . . . . 0.0 109.122 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.6 m -69.85 147.43 50.35 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.151 -0.968 . . . . 0.0 109.449 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.4 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 33.3 m -125.73 179.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 O-C-N 121.268 -0.895 . . . . 0.0 109.26 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.68 138.61 41.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.215 -0.928 . . . . 0.0 109.524 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -115.18 120.46 36.73 Favored Pre-proline 0 CA--C 1.536 0.43 0 O-C-N 121.301 -0.874 . . . . 0.0 109.343 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -90.38 -17.12 1.55 Allowed 'Trans proline' 0 N--CA 1.478 0.562 0 C-N-CA 124.709 3.606 . . . . 0.0 110.222 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.29 85.15 39.4 Favored Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.242 -0.911 . . . . 0.0 109.323 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -90.3 142.37 3.62 Favored 'Trans proline' 0 N--CA 1.477 0.529 1 C-N-CA 125.523 4.149 . . . . 0.0 110.41 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 t -137.7 -165.32 1.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.252 -0.905 . . . . 0.0 109.263 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.79 -27.33 8.54 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.261 -0.9 . . . . 0.0 108.794 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -69.95 0.48 5.86 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -97.86 51.36 1.05 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p30 41.95 71.96 0.19 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.214 0.53 . . . . 0.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 6.5 t-20 60.32 84.64 0.12 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.726 0.774 . . . . 0.0 109.189 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.94 42.18 2.97 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.598 ' HA2' HG22 ' A' ' 90' ' ' ILE . . . 126.95 -17.0 6.38 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 107.846 -2.102 . . . . 0.0 107.846 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ASP . 24.5 m -110.74 112.62 24.62 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.507 -0.996 . . . . 0.0 108.612 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 6.5 t0 -29.29 140.14 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.209 0.528 . . . . 0.0 111.765 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.38 -30.5 40.16 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -93.8 -14.63 25.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.448 ' H ' ' HB3' ' A' ' 57' ' ' ASP . . . -79.58 174.36 11.66 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.269 -0.895 . . . . 0.0 109.357 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.64 156.8 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 25.0 t -128.75 143.07 50.83 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.078 -1.014 . . . . 0.0 109.732 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.36 141.56 45.58 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.34 -0.85 . . . . 0.0 109.391 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.01 14.55 4.26 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 . . . . . 0 CA--C 1.531 0.221 0 O-C-N 121.403 -0.811 . . . . 0.0 109.599 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -76.92 118.61 19.68 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.305 -0.872 . . . . 0.0 109.531 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 74' ' ' ILE . 3.1 mm -113.89 112.78 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 O-C-N 121.236 -0.915 . . . . 0.0 109.274 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.59 163.14 12.39 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.223 -0.923 . . . . 0.0 109.53 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 56.4 m -137.12 126.38 24.73 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.258 -0.901 . . . . 0.0 109.568 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -122.61 96.45 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.286 -0.884 . . . . 0.0 108.796 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 95.3 m -53.05 116.1 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.392 -0.818 . . . . 0.0 110.269 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.452 HG22 ' H ' ' A' ' 79' ' ' THR . 1.5 t -78.91 6.71 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.419 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -58.49 177.25 0.24 Allowed Pre-proline 0 C--N 1.332 -0.18 0 O-C-N 121.541 -0.725 . . . . 0.0 109.222 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 9.8 Cg_endo -84.45 -85.75 0.0 OUTLIER 'Trans proline' 0 N--CA 1.476 0.443 0 C-N-CA 124.9 3.733 . . . . 0.0 109.842 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.89 -27.17 60.3 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 42.88 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.099 0.476 . . . . 0.0 110.965 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -129.21 70.98 82.02 Favored Pre-proline 0 C--N 1.332 -0.19 0 O-C-N 120.828 -1.17 . . . . 0.0 110.2 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -37.05 113.36 0.11 Allowed 'Trans proline' 0 N--CA 1.481 0.759 1 C-N-CA 125.486 4.124 . . . . 0.0 110.044 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.645 HD12 ' HB2' ' A' ' 91' ' ' PHE . 37.0 mt -67.05 -59.11 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.14 -0.975 . . . . 0.0 108.467 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.61 ' CD2' HD11 ' A' ' 90' ' ' ILE . 84.2 m-85 -92.94 -102.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.75 21.02 12.16 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.167 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.17 -20.06 6.33 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 119.577 -1.297 . . . . 0.0 110.7 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.61 HD11 ' CD2' ' A' ' 87' ' ' PHE . 5.7 pt -55.47 -37.99 47.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 O-C-N 120.938 -1.331 . . . . 0.0 109.491 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.645 ' HB2' HD12 ' A' ' 86' ' ' LEU . 9.9 m-85 -132.2 133.94 44.77 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.205 -0.934 . . . . 0.0 109.216 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.38 152.95 25.63 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.145 -0.972 . . . . 0.0 109.141 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 O-C-N 121.197 -0.939 . . . . 0.0 109.734 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 6' ' ' GLN . 4.7 p-80 . . . . . 0 CA--C 1.53 0.201 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.403 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 0.5 OUTLIER 59.48 68.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.313 -0.867 . . . . 0.0 109.822 179.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.17 120.69 11.4 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.131 -0.981 . . . . 0.0 108.898 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 8' ' ' VAL . 2.6 m -80.7 -44.03 21.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 O-C-N 121.196 -0.94 . . . . 0.0 109.969 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -165.78 100.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.128 -0.983 . . . . 0.0 109.288 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.85 138.91 25.96 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.314 -0.867 . . . . 0.0 109.641 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.28 -90.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.247 -0.908 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.5 t 66.54 122.17 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.644 0 O-C-N 121.492 -0.755 . . . . 0.0 109.136 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -89.73 178.6 2.33 Favored 'Trans proline' 0 N--CA 1.483 0.871 0 C-N-CA 124.68 3.587 . . . . 0.0 111.592 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -59.62 -179.33 0.09 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.486 -0.759 . . . . 0.0 109.354 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 55.02 25.49 6.99 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.406 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 2.2 t 177.6 142.36 0.09 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.533 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -120.01 174.08 15.45 Favored Glycine 0 CA--C 1.533 1.194 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.15 168.3 13.37 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.14 -1.212 . . . . 0.0 109.747 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -162.21 122.27 2.46 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.307 -0.871 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -70.62 115.29 9.61 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.298 -0.876 . . . . 0.0 109.367 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.422 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.78 139.63 38.88 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.279 -0.888 . . . . 0.0 109.467 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.66 ' H ' HD12 ' A' ' 22' ' ' LEU . 6.6 mp -64.05 -8.34 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.294 -0.879 . . . . 0.0 109.235 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.22 36.17 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.276 -0.89 . . . . 0.0 109.399 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 57.68 41.47 25.3 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.243 -0.911 . . . . 0.0 109.496 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -131.3 178.24 6.86 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.255 -0.903 . . . . 0.0 109.388 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -132.56 131.2 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.242 -0.911 . . . . 0.0 109.52 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 2.7 mt-10 -146.33 159.17 43.71 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.332 -0.855 . . . . 0.0 109.31 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.65 110.13 22.08 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.21 -0.931 . . . . 0.0 108.872 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 7.6 ttmt -100.08 161.87 13.33 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 121.307 -0.871 . . . . 0.0 109.324 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.8 m -90.27 176.69 6.65 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 120.973 -1.079 . . . . 0.0 110.096 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.8 mt -79.67 -164.94 0.72 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.339 -0.851 . . . . 0.0 109.933 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.714 HD21 ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -73.45 150.57 41.56 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.36 -0.838 . . . . 0.0 109.977 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 53.86 21.42 2.77 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.404 -0.81 . . . . 0.0 110.033 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -117.09 163.6 16.01 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.154 -0.966 . . . . 0.0 109.302 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.461 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -131.08 179.74 5.82 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.465 -0.772 . . . . 0.0 109.229 -179.724 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -112.47 127.94 56.19 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.321 -0.862 . . . . 0.0 109.43 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -123.61 94.56 4.28 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.251 -0.905 . . . . 0.0 109.531 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.5 -95.42 0.38 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -127.5 13.75 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.215 -1.168 . . . . 0.0 109.474 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.18 116.8 9.73 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.285 -0.884 . . . . 0.0 109.607 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 95.1 m -70.55 152.65 43.73 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.171 -0.955 . . . . 0.0 109.113 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.461 HG22 ' HG3' ' A' ' 35' ' ' LYS . 22.3 m -133.34 -178.73 2.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 O-C-N 121.109 -0.994 . . . . 0.0 110.019 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.06 126.19 29.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.379 -0.826 . . . . 0.0 109.434 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.486 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 8.7 t-20 -104.46 131.82 21.52 Favored Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 121.247 -0.908 . . . . 0.0 109.39 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.8 Cg_endo -92.56 -15.06 1.17 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 124.763 3.642 . . . . 0.0 110.052 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -137.29 93.59 12.85 Favored Pre-proline 0 CA--C 1.534 0.347 0 O-C-N 121.35 -0.844 . . . . 0.0 110.029 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -91.3 178.93 1.68 Allowed 'Trans proline' 0 N--CA 1.478 0.569 1 C-N-CA 125.429 4.086 . . . . 0.0 109.874 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.821 HG21 ' HG3' ' A' ' 51' ' ' GLU . 14.9 t -162.73 -147.23 0.12 Allowed 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.019 -1.051 . . . . 0.0 109.992 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.582 ' N ' HG23 ' A' ' 48' ' ' THR . 76.9 m -149.37 -45.22 0.14 Allowed 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -68.79 4.71 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.551 -0.718 . . . . 0.0 110.116 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.821 ' HG3' HG21 ' A' ' 48' ' ' THR . 75.5 mt-10 -107.08 62.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.051 -1.031 . . . . 0.0 108.837 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.41 73.03 0.13 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.143 0.497 . . . . 0.0 110.053 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.523 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.1 OUTLIER 65.41 96.15 0.05 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 122.618 1.199 . . . . 0.0 108.598 -179.554 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.59 21.67 31.47 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 107.885 -2.086 . . . . 0.0 107.885 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.679 ' O ' HG22 ' A' ' 90' ' ' ILE . . . 136.61 -8.07 3.95 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 108.211 -1.956 . . . . 0.0 108.211 -178.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.523 ' C ' HD22 ' A' ' 53' ' ' ASN . 73.1 m -111.66 138.72 47.86 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.339 -1.095 . . . . 0.0 109.147 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.735 ' HB3' ' HB2' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -40.57 144.86 0.21 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.104 0.478 . . . . 0.0 110.393 -179.261 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.32 -35.38 37.75 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.537 -0.727 . . . . 0.0 109.886 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.459 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -97.2 5.25 50.42 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.235 -0.916 . . . . 0.0 109.672 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.735 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . . . -88.59 140.54 29.35 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.093 -1.004 . . . . 0.0 109.691 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -70.24 103.35 2.34 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.261 -0.899 . . . . 0.0 109.046 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.9 t -85.73 142.0 29.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.422 -0.799 . . . . 0.0 109.234 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.69 143.1 43.21 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.141 -0.975 . . . . 0.0 109.794 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -143.43 8.86 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.343 -0.848 . . . . 0.0 109.426 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.421 ' HG3' ' H ' ' A' ' 65' ' ' GLU . 4.4 mt-10 . . . . . 0 C--N 1.331 -0.232 0 O-C-N 121.229 -0.919 . . . . 0.0 109.701 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 121.245 0.545 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.33 117.93 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.453 -0.779 . . . . 0.0 109.962 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.404 ' HA ' HD13 ' A' ' 74' ' ' ILE . 17.0 mm -136.01 149.47 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 121.054 -1.029 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.49 142.36 43.53 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.257 -0.902 . . . . 0.0 109.409 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.714 ' SG ' HD21 ' A' ' 32' ' ' LEU . 57.6 m -117.23 115.04 24.52 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.243 -0.911 . . . . 0.0 109.263 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -123.95 94.17 4.15 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.107 -0.995 . . . . 0.0 109.442 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.38 96.54 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.19 -0.944 . . . . 0.0 109.053 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 79' ' ' THR . 14.2 t -84.99 42.16 0.91 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.256 -0.902 . . . . 0.0 109.817 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -111.25 170.94 4.74 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 121.082 -1.011 . . . . 0.0 109.305 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -86.29 -53.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.578 0 C-N-CA 125.169 3.912 . . . . 0.0 109.78 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -81.1 15.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.356 -0.84 . . . . 0.0 108.791 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.05 115.36 6.02 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.458 -0.776 . . . . 0.0 109.45 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -138.65 70.97 44.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 121.257 -0.902 . . . . 0.0 109.161 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -31.33 120.29 0.08 OUTLIER 'Trans proline' 0 N--CA 1.48 0.713 1 C-N-CA 126.167 4.578 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.3 mt -82.58 -30.6 29.47 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.453 ' CB ' HD11 ' A' ' 90' ' ' ILE . 7.7 m-85 -110.72 -101.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.51 25.96 6.41 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.229 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.66 23.65 5.28 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 119.503 -1.332 . . . . 0.0 110.539 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.884 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -107.84 -14.92 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 O-C-N 120.953 -1.322 . . . . 0.0 109.315 179.581 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.884 ' CE2' HD12 ' A' ' 90' ' ' ILE . 20.3 m-85 -132.74 65.51 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.236 -0.915 . . . . 0.0 109.908 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 52.83 2.62 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.081 -1.012 . . . . 0.0 109.152 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.331 -0.217 0 O-C-N 121.283 -0.886 . . . . 0.0 109.563 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 121.319 0.581 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.439 ' H ' ' HB2' ' A' ' 20' ' ' ARG . 26.9 mt-30 -140.64 32.59 1.83 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.277 -0.889 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.2 p -56.78 139.24 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.267 -0.896 . . . . 0.0 109.364 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.86 147.19 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 O-C-N 121.264 -0.898 . . . . 0.0 109.52 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt 54.72 62.25 2.62 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.246 -0.909 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -128.68 -58.27 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.226 -0.921 . . . . 0.0 109.552 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 55.58 62.03 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.283 -0.885 . . . . 0.0 109.173 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 m -68.1 173.08 3.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.258 -0.901 . . . . 0.0 109.222 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -90.07 160.57 4.84 Favored 'Trans proline' 0 N--CA 1.478 0.599 1 C-N-CA 125.552 4.168 . . . . 0.0 110.438 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -54.83 172.23 0.11 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 121.284 -0.885 . . . . 0.0 109.373 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.718 ' HA ' HD12 ' A' ' 31' ' ' LEU . 4.6 m120 55.0 35.52 24.84 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.267 -0.895 . . . . 0.0 109.036 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -168.6 116.94 0.69 Allowed 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.319 -0.863 . . . . 0.0 109.562 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.97 155.51 22.0 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 155.48 22.85 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.207 -1.173 . . . . 0.0 109.61 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -160.58 132.08 5.79 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.298 -0.876 . . . . 0.0 109.427 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HB2' ' H ' ' A' ' 6' ' ' GLN . 10.8 ttt-85 -82.58 117.49 22.6 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.313 -0.867 . . . . 0.0 109.114 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.94 133.14 43.13 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.361 -0.837 . . . . 0.0 109.608 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' N ' HD22 ' A' ' 22' ' ' LEU . 4.5 mm? -59.12 -15.24 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.371 -0.831 . . . . 0.0 109.485 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.41 30.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.3 -0.875 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.76 37.65 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.229 -0.919 . . . . 0.0 109.66 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -127.83 177.89 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.193 -0.942 . . . . 0.0 109.225 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -135.41 136.82 41.7 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.212 -0.93 . . . . 0.0 109.596 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -160.76 161.01 31.99 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.213 -0.929 . . . . 0.0 109.589 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.8 m -112.04 119.3 37.98 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.326 -0.859 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -98.41 141.88 30.73 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.126 -0.984 . . . . 0.0 108.72 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 4.5 m -59.56 160.93 6.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 120.952 -1.093 . . . . 0.0 109.829 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 15' ' ' ASN . 6.5 mt -68.43 -168.1 0.11 Allowed 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.318 -0.864 . . . . 0.0 109.643 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.702 ' HG ' HG21 ' A' ' 90' ' ' ILE . 8.6 mt -72.97 155.61 39.67 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.316 -0.865 . . . . 0.0 109.53 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m120 56.9 18.14 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.31 -0.869 . . . . 0.0 109.441 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 12.3 m-85 -124.85 117.33 23.89 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.319 -0.863 . . . . 0.0 108.959 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -102.13 -173.06 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.078 -1.014 . . . . 0.0 109.619 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -108.92 146.58 33.55 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.55 -0.719 . . . . 0.0 109.442 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -156.58 69.34 0.61 Allowed 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.196 -0.94 . . . . 0.0 109.365 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.58 -103.35 2.23 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -126.82 2.13 6.68 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.236 -1.155 . . . . 0.0 109.4 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -133.62 134.48 43.28 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.288 -0.883 . . . . 0.0 109.375 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.4 m -73.44 139.19 45.67 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.139 -0.976 . . . . 0.0 109.376 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.1 m -114.24 -179.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 121.204 -0.935 . . . . 0.0 109.468 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.4 135.34 44.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.279 -0.888 . . . . 0.0 109.244 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -102.5 111.41 64.61 Favored Pre-proline 0 CA--C 1.534 0.334 0 O-C-N 121.257 -0.902 . . . . 0.0 109.602 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -87.87 -14.29 3.6 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 124.82 3.68 . . . . 0.0 109.76 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -146.19 82.53 9.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 121.495 -0.753 . . . . 0.0 109.125 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -89.01 159.31 5.87 Favored 'Trans proline' 0 N--CA 1.478 0.578 1 C-N-CA 125.467 4.112 . . . . 0.0 110.033 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.744 HG23 ' HG2' ' A' ' 51' ' ' GLU . 8.8 t -149.47 -172.83 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.157 -0.964 . . . . 0.0 109.886 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 62' ' ' CYS . 87.2 m -112.5 -31.26 6.85 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.42 -0.8 . . . . 0.0 108.887 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -58.98 -14.8 10.31 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.318 -0.863 . . . . 0.0 109.114 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.744 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.7 pt-20 -76.72 59.43 1.55 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 42.14 57.78 3.17 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.974 0.416 . . . . 0.0 111.566 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.533 HD22 ' CA ' ' A' ' 58' ' ' ALA . 7.1 t30 66.06 69.26 0.44 Allowed 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.16 -0.962 . . . . 0.0 109.547 178.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.97 -43.0 6.12 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.94 -20.55 67.63 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.508 ' HB3' HD21 ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.62 160.33 17.33 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.171 -1.194 . . . . 0.0 110.372 -179.788 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.443 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.5 OUTLIER -52.17 -91.73 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.566 -0.709 . . . . 0.0 109.747 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.533 ' CA ' HD22 ' A' ' 53' ' ' ASN . . . -151.68 -13.23 0.2 Allowed 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.269 -0.895 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -126.16 -15.36 5.79 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.204 -0.935 . . . . 0.0 109.551 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.428 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . . . -71.52 176.65 4.55 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.217 -0.927 . . . . 0.0 109.495 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -103.21 122.9 45.7 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.221 -0.924 . . . . 0.0 109.509 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 49' ' ' CYS . 19.8 t -93.79 155.04 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.354 -0.841 . . . . 0.0 109.436 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.24 152.89 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.127 -0.983 . . . . 0.0 109.564 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -143.04 3.81 1.41 Allowed 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.19 -0.944 . . . . 0.0 109.524 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.33 -0.275 0 O-C-N 121.29 -0.882 . . . . 0.0 109.534 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 121.298 0.571 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.66 121.43 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.511 -0.743 . . . . 0.0 109.675 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.476 ' HA ' HD13 ' A' ' 74' ' ' ILE . 15.8 mm -131.34 107.56 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 121.074 -1.016 . . . . 0.0 109.712 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.78 150.96 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.342 -0.849 . . . . 0.0 108.951 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -135.68 154.22 51.35 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.209 -0.932 . . . . 0.0 109.988 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -152.18 105.69 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.1 m -74.76 123.33 24.77 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.243 -0.91 . . . . 0.0 109.67 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.7 t -85.48 24.56 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.293 -0.879 . . . . 0.0 109.152 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -87.93 168.51 16.59 Favored Pre-proline 0 C--N 1.329 -0.296 0 O-C-N 121.374 -0.829 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -83.51 128.28 4.66 Favored 'Trans proline' 0 N--CA 1.479 0.636 0 C-N-CA 124.881 3.721 . . . . 0.0 109.472 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 t0 72.63 -53.52 0.7 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.411 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER 62.16 152.15 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.652 0.739 . . . . 0.0 110.174 179.22 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.411 ' CD2' ' O ' ' A' ' 83' ' ' SER . 59.3 m-85 -155.37 99.9 2.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 121.341 -0.85 . . . . 0.0 108.816 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -86.96 116.09 1.24 Allowed 'Trans proline' 0 N--CA 1.478 0.591 0 C-N-CA 125.128 3.885 . . . . 0.0 110.579 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.4 mt -78.73 -8.66 58.94 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.521 ' CE1' HD21 ' A' ' 31' ' ' LEU . 77.6 m-85 -144.55 -110.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.502 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -109.82 25.64 11.56 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 121.55 -0.718 . . . . 0.0 109.71 179.637 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.21 14.53 30.47 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 119.701 -1.238 . . . . 0.0 110.113 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.743 HD12 ' HE2' ' A' ' 91' ' ' PHE . 0.8 OUTLIER -94.45 8.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 O-C-N 121.047 -1.267 . . . . 0.0 109.304 179.801 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.743 ' HE2' HD12 ' A' ' 90' ' ' ILE . 92.0 m-85 -153.05 43.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.355 -0.84 . . . . 0.0 109.215 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.3 m -53.44 116.43 2.45 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.367 -0.833 . . . . 0.0 109.6 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 C--N 1.331 -0.237 0 O-C-N 121.325 -0.859 . . . . 0.0 109.428 179.994 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 . . . . . 0 CA--C 1.53 0.191 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 89.33 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.285 -0.884 . . . . 0.0 109.313 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.59 139.32 38.66 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.341 -0.85 . . . . 0.0 109.439 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.601 HG23 ' N ' ' A' ' 9' ' ' LYS . 28.9 m -91.82 -49.24 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.159 -0.963 . . . . 0.0 109.605 -179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.601 ' N ' HG23 ' A' ' 8' ' ' VAL . 6.5 tttp -135.8 30.65 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.222 -0.924 . . . . 0.0 109.505 -179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.08 162.94 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.12 -0.988 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -156.47 108.07 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.237 -0.915 . . . . 0.0 109.307 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 172.32 5.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 121.307 -0.871 . . . . 0.0 109.197 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -90.6 170.15 3.72 Favored 'Trans proline' 0 N--CA 1.476 0.465 1 C-N-CA 125.544 4.162 . . . . 0.0 110.229 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -55.29 174.5 0.09 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.259 -0.901 . . . . 0.0 109.265 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.847 ' HA ' HD12 ' A' ' 31' ' ' LEU . 67.0 m-20 55.34 22.89 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.146 -0.971 . . . . 0.0 109.202 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 35.9 t -167.86 148.31 5.1 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.203 -0.936 . . . . 0.0 110.021 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.33 -175.12 13.92 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.97 138.1 31.71 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.112 -1.228 . . . . 0.0 109.666 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 1.6 t80 -144.99 44.8 1.35 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.818 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.518 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 12.3 ttm180 -87.91 81.26 7.57 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.299 -0.875 . . . . 0.0 109.411 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.557 ' NE2' HD11 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -148.67 -164.78 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.015 -1.053 . . . . 0.0 109.563 179.458 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.557 HD11 ' NE2' ' A' ' 21' ' ' HIS . 3.6 mt 72.18 -52.57 0.7 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.28 13.91 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.768 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 57.2 30.14 17.86 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.731 -0.606 . . . . 0.0 109.436 -179.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -177.38 48.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.228 -0.92 . . . . 0.0 109.752 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 20' ' ' ARG . 4.9 mm-40 -84.52 -110.0 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.258 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.39 176.5 0.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 O-C-N 120.805 -1.184 . . . . 0.0 109.759 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.1 m -73.55 132.7 43.13 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.309 -0.869 . . . . 0.0 109.49 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -108.47 134.95 50.55 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.288 -0.883 . . . . 0.0 108.806 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 2.6 m -61.59 167.38 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.049 -1.032 . . . . 0.0 109.764 -179.51 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 15' ' ' ASN . 78.3 mt -80.41 -164.49 0.71 Allowed 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.24 -0.913 . . . . 0.0 109.89 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD21 ' O ' ' A' ' 55' ' ' GLY . 92.0 mt -70.3 158.75 35.34 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.35 -0.844 . . . . 0.0 109.609 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m120 56.0 18.59 3.19 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.271 -0.893 . . . . 0.0 109.706 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -128.33 149.03 50.69 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.234 -0.916 . . . . 0.0 109.338 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 13.3 ptmt -129.72 -176.18 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.315 -0.865 . . . . 0.0 108.862 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -116.71 141.46 48.17 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.356 -0.84 . . . . 0.0 109.499 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -159.21 103.97 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.187 -0.946 . . . . 0.0 109.472 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.39 -100.51 2.36 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -134.83 -0.11 2.87 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.226 -1.161 . . . . 0.0 109.421 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -131.72 150.35 52.18 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.247 -0.908 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.6 m -86.25 147.37 26.12 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.032 -1.043 . . . . 0.0 109.482 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 22.4 m -124.83 -179.69 2.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 O-C-N 121.234 -0.916 . . . . 0.0 109.482 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.63 144.75 54.39 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.141 -0.974 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -123.75 68.4 42.91 Favored Pre-proline 0 CA--C 1.53 0.182 0 O-C-N 121.241 -0.912 . . . . 0.0 109.815 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -34.49 -33.59 0.08 OUTLIER 'Trans proline' 0 N--CA 1.482 0.814 1 C-N-CA 125.879 4.386 . . . . 0.0 110.559 179.502 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -135.66 91.59 17.97 Favored Pre-proline 0 CA--C 1.533 0.309 0 O-C-N 121.272 -0.893 . . . . 0.0 109.345 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -89.39 154.44 5.45 Favored 'Trans proline' 0 N--CA 1.478 0.612 1 C-N-CA 125.36 4.04 . . . . 0.0 110.485 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.792 HG23 ' HG2' ' A' ' 51' ' ' GLU . 6.2 t -137.24 -175.2 3.97 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.308 -0.87 . . . . 0.0 109.635 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.25 -25.52 8.83 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.311 -0.868 . . . . 0.0 108.946 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -68.89 -0.65 5.79 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.298 -0.876 . . . . 0.0 108.758 179.22 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.792 ' HG2' HG23 ' A' ' 48' ' ' THR . 9.6 pt-20 -95.31 49.83 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 179.363 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 42.03 71.91 0.19 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.199 0.524 . . . . 0.0 110.272 -179.093 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 7.8 t-20 59.68 82.29 0.15 Allowed 'General case' 0 N--CA 1.464 0.251 0 O-C-N 121.448 -0.782 . . . . 0.0 108.968 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.67 -41.71 64.0 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 108.036 -2.026 . . . . 0.0 108.036 178.611 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.797 ' O ' HG22 ' A' ' 90' ' ' ILE . . . -149.91 -3.25 0.27 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 107.531 -2.227 . . . . 0.0 107.531 179.17 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' ASP . 59.6 m -111.84 118.93 36.89 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.529 -0.983 . . . . 0.0 109.225 179.549 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -32.78 138.26 0.06 Allowed 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.404 0.621 . . . . 0.0 111.542 -179.272 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.88 -34.26 62.83 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.39 -0.819 . . . . 0.0 108.906 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -83.8 -10.2 58.24 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.422 -0.799 . . . . 0.0 109.075 179.788 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.2 165.73 11.91 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.211 -0.931 . . . . 0.0 109.5 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -91.87 169.84 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.351 -0.843 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.445 ' SG ' HD12 ' A' ' 74' ' ' ILE . 24.1 t -139.94 137.68 34.96 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.307 -0.871 . . . . 0.0 109.485 -179.741 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -119.96 139.92 51.72 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.275 -0.891 . . . . 0.0 109.488 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.74 17.0 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.253 -0.905 . . . . 0.0 109.492 -179.855 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 32.9 mt-10 . . . . . 0 C--N 1.33 -0.255 0 O-C-N 121.373 -0.829 . . . . 0.0 109.483 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 160.62 15.48 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.252 -0.905 . . . . 0.0 109.452 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.514 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.2 mm -141.98 113.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 O-C-N 121.245 -0.91 . . . . 0.0 109.482 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.9 162.2 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.276 -0.89 . . . . 0.0 109.396 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.8 m -126.25 141.32 51.96 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.211 -0.931 . . . . 0.0 109.366 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -144.4 114.05 7.18 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.273 -0.892 . . . . 0.0 109.644 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 113.64 24.99 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.189 -0.944 . . . . 0.0 109.177 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -84.64 22.52 1.3 Allowed 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.212 -0.93 . . . . 0.0 109.787 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.401 ' N ' ' CD ' ' A' ' 80' ' ' LYS . 7.6 mptt -82.94 171.06 12.57 Favored Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 121.227 -0.921 . . . . 0.0 109.395 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -86.33 125.85 2.62 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 124.979 3.786 . . . . 0.0 109.039 179.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t0 72.67 -50.82 0.7 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.22 157.58 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.493 -0.754 . . . . 0.0 110.237 179.1 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -149.88 95.42 3.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -89.53 116.31 0.69 Allowed 'Trans proline' 0 N--CA 1.475 0.412 1 C-N-CA 125.307 4.004 . . . . 0.0 110.379 -179.335 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 9.7 mt -81.82 0.5 39.09 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.414 ' HB2' HG12 ' A' ' 90' ' ' ILE . 64.2 m-85 -154.27 -102.76 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.27 25.47 9.82 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 121.624 -0.672 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.44 -4.45 31.21 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 119.514 -1.326 . . . . 0.0 110.331 179.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.797 HG22 ' O ' ' A' ' 55' ' ' GLY . 11.5 pt -65.45 -26.32 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 120.942 -1.328 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.489 ' CE2' HD12 ' A' ' 90' ' ' ILE . 14.6 m-85 -130.31 72.8 1.5 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.278 -0.889 . . . . 0.0 110.232 -179.716 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.428 ' H ' ' HB2' ' A' ' 57' ' ' ASP . 5.1 m -76.63 135.0 39.16 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 120.957 -1.089 . . . . 0.0 108.925 179.354 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.33 -0.239 0 O-C-N 121.058 -1.026 . . . . 0.0 109.72 -179.907 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -68.66 -49.38 59.54 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.594 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t 66.26 118.01 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.303 -0.873 . . . . 0.0 109.446 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.72 -144.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 121.2 -0.937 . . . . 0.0 109.641 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.573 ' H ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -66.65 -70.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.302 -0.874 . . . . 0.0 109.579 -179.867 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.463 ' H ' ' HG2' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 66.78 126.01 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.376 -0.828 . . . . 0.0 109.544 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -117.39 78.17 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.211 -0.93 . . . . 0.0 109.437 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.39 173.98 5.11 Favored Pre-proline 0 CA--C 1.531 0.219 0 O-C-N 121.254 -0.904 . . . . 0.0 109.243 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -88.85 158.83 6.07 Favored 'Trans proline' 0 N--CA 1.478 0.565 1 C-N-CA 125.437 4.092 . . . . 0.0 110.403 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -54.55 173.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 121.29 -0.881 . . . . 0.0 109.439 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 34' ' ' TYR . 4.6 m120 60.88 14.7 5.41 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.206 -0.934 . . . . 0.0 109.144 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.401 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 33.6 t -157.12 134.8 10.77 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.347 -0.846 . . . . 0.0 109.491 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.16 171.1 13.59 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.74 154.53 17.73 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.249 -1.148 . . . . 0.0 109.807 -179.764 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 40.5 t80 -154.76 146.97 23.78 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.318 -0.864 . . . . 0.0 109.162 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.67 115.58 24.22 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.271 -0.893 . . . . 0.0 109.542 -179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.9 144.82 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.304 -0.873 . . . . 0.0 109.407 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.593 HD21 ' HB2' ' A' ' 59' ' ' ASP . 7.9 mp -68.31 -0.96 5.37 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.211 -0.931 . . . . 0.0 109.25 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.22 28.66 7.49 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.269 -0.894 . . . . 0.0 109.333 179.805 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.66 36.04 6.63 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.252 -0.905 . . . . 0.0 109.518 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.5 178.82 5.42 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.162 -0.961 . . . . 0.0 109.383 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -136.33 138.66 41.89 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.203 -0.936 . . . . 0.0 109.479 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -158.12 160.52 37.39 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.205 -0.934 . . . . 0.0 109.595 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.1 m -104.37 110.14 22.27 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.273 -0.892 . . . . 0.0 109.396 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 136.04 36.92 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.214 -0.929 . . . . 0.0 109.023 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.401 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 2.7 m -58.48 146.3 35.79 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.149 -0.969 . . . . 0.0 109.199 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.633 HD22 ' CG ' ' A' ' 87' ' ' PHE . 78.0 mt -61.52 -166.93 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.211 -0.931 . . . . 0.0 109.869 -179.545 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.789 HD21 HG23 ' A' ' 90' ' ' ILE . 9.2 mt -73.39 167.43 21.28 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.366 -0.834 . . . . 0.0 109.665 -179.766 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.0 m120 57.29 17.73 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.405 -0.81 . . . . 0.0 109.387 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 21.4 m-85 -131.06 173.19 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.366 -0.834 . . . . 0.0 109.355 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -153.89 -175.11 5.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.858 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.04 134.21 55.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.485 -0.76 . . . . 0.0 109.478 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -141.92 81.05 1.74 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.359 -0.838 . . . . 0.0 109.356 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.45 -92.83 1.72 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -136.45 -4.13 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.333 -1.098 . . . . 0.0 109.434 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -124.63 131.82 53.45 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.232 -0.917 . . . . 0.0 109.198 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 76.3 m -71.02 145.17 50.14 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.125 -0.984 . . . . 0.0 109.461 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.401 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 34.3 m -124.48 172.4 12.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 O-C-N 121.32 -0.863 . . . . 0.0 109.564 179.711 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -63.44 148.84 47.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.256 -0.903 . . . . 0.0 109.712 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -123.51 67.1 37.05 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 121.218 -0.926 . . . . 0.0 109.552 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -34.09 -33.62 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.774 1 C-N-CA 125.982 4.454 . . . . 0.0 110.678 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -138.8 92.73 11.08 Favored Pre-proline 0 CA--C 1.533 0.317 0 O-C-N 121.225 -0.922 . . . . 0.0 109.527 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -88.79 172.78 4.48 Favored 'Trans proline' 0 N--CA 1.479 0.648 0 C-N-CA 125.185 3.924 . . . . 0.0 110.004 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.7 HG23 ' HG2' ' A' ' 51' ' ' GLU . 8.8 t -158.25 -171.44 3.49 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.115 -0.99 . . . . 0.0 109.784 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 99.6 m -111.17 -31.52 7.07 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.427 -0.796 . . . . 0.0 108.931 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.02 -13.93 13.87 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.338 -0.851 . . . . 0.0 109.15 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.7 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.6 pt-20 -77.83 59.12 2.01 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 42.07 58.18 3.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.005 0.431 . . . . 0.0 111.455 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.8 OUTLIER 66.2 70.68 0.42 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.184 -0.947 . . . . 0.0 109.33 178.755 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -84.99 -48.02 5.05 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 179.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.4 -15.91 72.73 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -111.25 162.4 15.01 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.005 -1.291 . . . . 0.0 109.98 -179.739 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.55 ' OD1' ' HB2' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -51.18 -87.55 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.597 -0.69 . . . . 0.0 109.711 -179.932 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.443 ' HB3' HD11 ' A' ' 22' ' ' LEU . . . -153.81 -9.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.411 -0.806 . . . . 0.0 109.031 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HB2' HD21 ' A' ' 22' ' ' LEU . 1.1 t70 -138.86 -7.92 1.4 Allowed 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.342 -0.849 . . . . 0.0 109.403 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.55 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . . . -69.7 171.44 9.08 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.187 -0.945 . . . . 0.0 109.705 -179.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -91.13 115.02 27.68 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.273 -0.892 . . . . 0.0 109.309 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 25.0 t -92.4 141.64 28.31 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.172 -0.955 . . . . 0.0 109.691 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.98 155.25 40.54 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.264 -0.897 . . . . 0.0 109.38 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.38 30.65 6.21 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.18 -0.95 . . . . 0.0 109.588 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.33 -0.264 0 O-C-N 121.17 -0.956 . . . . 0.0 109.612 -179.799 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -94.04 106.06 18.04 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.226 -0.921 . . . . 0.0 109.487 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mm -120.75 115.36 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 O-C-N 121.222 -0.924 . . . . 0.0 109.221 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.451 HG22 ' H ' ' A' ' 76' ' ' CYS . 0.7 OUTLIER -111.3 173.21 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.278 -0.889 . . . . 0.0 109.642 -179.801 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.451 ' H ' HG22 ' A' ' 75' ' ' THR . 0.8 OUTLIER -152.19 148.32 27.45 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.344 -0.847 . . . . 0.0 110.077 -179.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -136.86 86.89 2.24 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.386 -0.821 . . . . 0.0 108.84 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.5 m -60.37 117.23 4.98 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.308 -0.87 . . . . 0.0 109.935 -179.439 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 t -71.1 0.77 6.9 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.27 -0.893 . . . . 0.0 108.835 179.335 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -62.35 168.99 3.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.461 -0.774 . . . . 0.0 109.231 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -79.38 130.94 9.31 Favored 'Trans proline' 0 N--CA 1.478 0.609 0 C-N-CA 124.641 3.561 . . . . 0.0 109.506 179.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 72.68 -53.11 0.7 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.165 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t 51.92 92.43 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.522 -0.736 . . . . 0.0 109.823 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.401 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 4.6 m-85 -116.14 81.9 10.81 Favored Pre-proline 0 C--N 1.33 -0.25 0 O-C-N 121.233 -0.917 . . . . 0.0 109.881 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 19.7 Cg_exo -33.1 151.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.483 0.889 1 C-N-CA 125.63 4.22 . . . . 0.0 110.665 179.615 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.798 HD12 ' CB ' ' A' ' 91' ' ' PHE . 58.2 mt -120.05 -2.31 10.25 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.268 -0.895 . . . . 0.0 109.726 -179.701 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.633 ' CG ' HD22 ' A' ' 31' ' ' LEU . 78.1 m-85 -152.22 -14.53 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.024 -1.048 . . . . 0.0 109.965 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 166.98 -46.36 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.635 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 179.34 7.51 0.02 OUTLIER Glycine 0 CA--C 1.529 0.931 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.789 HG23 HD21 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -81.58 -86.94 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 O-C-N 121.056 -1.261 . . . . 0.0 108.913 179.751 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.798 ' CB ' HD12 ' A' ' 86' ' ' LEU . 12.4 m-85 -66.59 113.91 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.315 -0.865 . . . . 0.0 109.297 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 6.4 m -107.57 64.28 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.247 -0.908 . . . . 0.0 109.452 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--N 1.33 -0.242 0 O-C-N 121.272 -0.892 . . . . 0.0 109.394 179.982 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p80 . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.8 164.12 17.9 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.281 -0.887 . . . . 0.0 109.484 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.58 177.32 4.68 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.212 -0.93 . . . . 0.0 109.267 179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.65 -12.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 O-C-N 121.259 -0.9 . . . . 0.0 109.508 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -144.54 48.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.386 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' CG ' ' H ' ' A' ' 11' ' ' GLN . 1.5 ttmm -139.17 -160.42 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.205 -0.934 . . . . 0.0 109.466 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.451 ' H ' ' CG ' ' A' ' 10' ' ' LYS . 4.0 mt-30 -162.91 49.66 0.16 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.245 -0.909 . . . . 0.0 109.603 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 21.2 t -54.83 131.81 66.33 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 121.217 -0.927 . . . . 0.0 108.59 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 28.8 Cg_endo -83.55 -169.33 0.68 Allowed 'Trans proline' 0 N--CA 1.483 0.909 0 C-N-CA 124.319 3.346 . . . . 0.0 110.863 -179.479 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -72.88 173.78 8.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.665 ' HA ' HD12 ' A' ' 31' ' ' LEU . 29.1 m-20 55.32 27.26 9.64 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.162 -0.961 . . . . 0.0 109.148 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 52.5 p -165.47 125.08 1.76 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.282 -0.886 . . . . 0.0 109.355 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.08 163.83 20.33 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.63 175.84 9.44 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.314 -1.109 . . . . 0.0 109.83 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.959 ' CE2' HD13 ' A' ' 22' ' ' LEU . 2.1 t80 -166.79 101.92 0.57 Allowed 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.478 -0.764 . . . . 0.0 109.165 -179.727 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.53 78.63 1.74 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 121.095 -1.003 . . . . 0.0 109.951 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.453 ' NE2' ' CZ ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -176.57 1.78 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.09 -1.006 . . . . 0.0 110.282 179.481 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.959 HD13 ' CE2' ' A' ' 19' ' ' PHE . 2.1 mp -109.92 -0.61 18.16 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.079 -1.013 . . . . 0.0 109.119 179.591 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.68 8.23 0.31 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.62 1.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.659 -0.651 . . . . 0.0 109.623 -179.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -110.5 174.48 5.84 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.134 -0.979 . . . . 0.0 109.142 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 134.76 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.117 -0.989 . . . . 0.0 109.764 -179.828 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.3 160.38 40.36 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.347 -0.846 . . . . 0.0 109.327 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.25 101.31 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.198 -0.938 . . . . 0.0 108.56 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 10.7 tttm -93.38 160.16 14.93 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 121.287 -0.883 . . . . 0.0 109.518 -179.126 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.0 m -80.07 156.97 26.84 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.121 -0.987 . . . . 0.0 109.775 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 15' ' ' ASN . 40.0 mt -65.09 -164.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.247 -0.908 . . . . 0.0 109.222 179.77 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.15 162.94 27.57 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.131 -0.98 . . . . 0.0 109.526 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 59.11 16.94 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.279 -0.888 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -124.56 172.9 8.85 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.284 -0.885 . . . . 0.0 109.72 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.512 ' HG3' HG23 ' A' ' 42' ' ' VAL . 8.1 ptmt -154.65 -173.32 4.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -108.37 138.2 45.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.486 -0.759 . . . . 0.0 109.762 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -159.36 102.11 1.56 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.259 -0.9 . . . . 0.0 109.312 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.83 -123.39 6.09 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -112.56 12.84 19.96 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.236 -1.156 . . . . 0.0 109.312 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.34 147.46 31.36 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.333 -0.855 . . . . 0.0 109.052 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.4 m -75.72 149.49 38.05 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.265 -0.897 . . . . 0.0 109.637 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.512 HG23 ' HG3' ' A' ' 35' ' ' LYS . 28.6 m -122.65 166.91 16.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 121.238 -0.914 . . . . 0.0 109.673 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -56.92 154.57 9.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.146 -0.971 . . . . 0.0 109.319 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.428 HD22 ' CD ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -129.55 112.89 17.9 Favored Pre-proline 0 CA--C 1.535 0.369 0 O-C-N 121.164 -0.96 . . . . 0.0 109.717 -179.616 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.428 ' CD ' HD22 ' A' ' 44' ' ' ASN . 12.3 Cg_endo -89.79 -15.89 2.05 Favored 'Trans proline' 0 N--CA 1.478 0.563 0 C-N-CA 124.892 3.728 . . . . 0.0 109.901 179.407 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -130.67 87.16 50.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.51 -0.744 . . . . 0.0 109.019 179.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -86.98 113.69 1.03 Allowed 'Trans proline' 0 N--CA 1.477 0.542 0 C-N-CA 125.273 3.982 . . . . 0.0 110.7 -179.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.778 HG23 ' HG2' ' A' ' 51' ' ' GLU . 5.3 t -119.05 -174.6 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.303 -0.873 . . . . 0.0 109.18 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.8 m -111.85 -25.74 9.29 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.231 -0.918 . . . . 0.0 108.953 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -69.51 -0.32 6.44 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.338 -0.851 . . . . 0.0 108.708 179.22 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.778 ' HG2' HG23 ' A' ' 48' ' ' THR . 10.1 pt-20 -96.55 50.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.92 71.57 0.21 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.24 0.543 . . . . 0.0 110.396 -179.179 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 5.7 t30 60.21 85.2 0.11 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.552 0.691 . . . . 0.0 109.235 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.13 -42.32 84.47 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 107.762 -2.135 . . . . 0.0 107.762 178.342 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.13 -0.37 0.3 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 107.456 -2.258 . . . . 0.0 107.456 178.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASP . 75.2 m -111.15 111.52 22.65 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.632 -0.922 . . . . 0.0 109.314 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -28.11 140.41 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.376 0.607 . . . . 0.0 112.018 -179.374 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.38 -34.58 64.45 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.339 -0.85 . . . . 0.0 108.996 -179.773 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.694 ' HB2' HD21 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -82.05 -11.3 58.87 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.318 -0.864 . . . . 0.0 108.735 179.586 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 92' ' ' CYS . . . -95.36 142.75 27.38 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.35 -0.844 . . . . 0.0 109.27 179.771 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.52 169.13 17.12 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.174 -0.954 . . . . 0.0 109.27 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.7 t -137.03 155.03 50.2 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.273 -0.892 . . . . 0.0 109.154 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.95 144.14 24.74 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.12 -0.988 . . . . 0.0 109.519 -179.757 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.47 -9.97 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.32 -0.863 . . . . 0.0 109.535 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--N 1.33 -0.241 0 O-C-N 121.294 -0.879 . . . . 0.0 109.734 -179.815 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.22 0 CA-C-O 121.195 0.522 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.14 121.43 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.656 0.741 . . . . 0.0 110.003 179.714 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.0 mm -138.89 156.47 28.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 121.193 -0.942 . . . . 0.0 109.001 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.66 149.45 35.7 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.144 -0.972 . . . . 0.0 109.568 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.9 m -115.45 136.31 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.355 -0.841 . . . . 0.0 109.21 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.26 84.9 2.3 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.21 -0.931 . . . . 0.0 109.573 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.64 112.28 6.76 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.294 -0.879 . . . . 0.0 109.139 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 79' ' ' THR . 15.1 t -89.54 41.32 1.03 Allowed 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.229 -0.92 . . . . 0.0 110.01 -179.416 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 169.14 6.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 O-C-N 121.151 -0.968 . . . . 0.0 109.17 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -84.01 127.82 4.2 Favored 'Trans proline' 0 N--CA 1.477 0.509 0 C-N-CA 124.901 3.734 . . . . 0.0 109.535 179.611 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.72 -52.62 0.7 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -178.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.83 160.01 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.401 -0.812 . . . . 0.0 110.17 179.245 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -148.93 94.06 4.11 Favored Pre-proline 0 C--N 1.328 -0.329 0 O-C-N 121.396 -0.815 . . . . 0.0 109.073 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -91.34 119.95 0.6 Allowed 'Trans proline' 0 N--CA 1.475 0.426 1 C-N-CA 125.605 4.203 . . . . 0.0 110.237 -179.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 87' ' ' PHE . 21.3 mt -92.04 -24.29 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.295 -0.878 . . . . 0.0 108.942 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.441 ' CD2' ' HB2' ' A' ' 86' ' ' LEU . 42.8 m-85 -147.12 73.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER 75.94 -32.92 0.21 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.953 -0.467 . . . . 0.0 110.298 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.48 31.57 0.07 OUTLIER Glycine 0 CA--C 1.533 1.181 0 C-N-CA 118.964 -1.588 . . . . 0.0 111.273 179.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.782 HD11 ' CE2' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -91.95 -12.85 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 120.735 -1.45 . . . . 0.0 108.776 179.121 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.782 ' CE2' HD11 ' A' ' 90' ' ' ILE . 29.0 m-85 -131.85 38.95 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.444 -0.785 . . . . 0.0 109.116 179.48 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -53.31 165.21 0.38 Allowed 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.341 -0.849 . . . . 0.0 109.782 -179.83 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.29 0 O-C-N 121.316 -0.865 . . . . 0.0 109.241 179.795 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.513 ' CG ' HD11 ' A' ' 86' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 6.2 tt0 -55.5 169.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.285 -0.885 . . . . 0.0 109.549 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.39 178.38 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.268 -0.895 . . . . 0.0 109.312 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.0 t -105.03 -67.56 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 O-C-N 121.28 -0.887 . . . . 0.0 109.592 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.8 35.95 4.5 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.276 -0.89 . . . . 0.0 109.439 -179.886 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HZ1' ' HB2' ' A' ' 12' ' ' CYS . 2.8 ttpp -106.4 175.92 5.34 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.276 -0.89 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.445 ' H ' ' HG2' ' A' ' 10' ' ' LYS . 3.5 pt20 -148.5 99.12 2.98 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.225 -0.922 . . . . 0.0 110.07 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.499 ' HB2' ' HZ1' ' A' ' 10' ' ' LYS . 19.5 t -96.16 135.71 22.49 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.363 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 18.3 Cg_endo -82.18 -169.34 0.74 Allowed 'Trans proline' 0 N--CA 1.483 0.874 0 C-N-CA 124.322 3.348 . . . . 0.0 110.925 -179.435 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -73.93 174.45 8.53 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.646 ' HA ' HD12 ' A' ' 31' ' ' LEU . 7.1 m120 55.26 22.18 4.59 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.091 -1.006 . . . . 0.0 109.045 -179.733 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 38.7 p -160.38 130.22 5.2 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.34 -0.85 . . . . 0.0 109.446 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.81 161.12 17.75 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.6 t -96.58 141.3 30.01 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.449 -1.03 . . . . 0.0 109.512 -179.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -138.16 112.4 8.63 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.207 -0.933 . . . . 0.0 109.449 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -63.89 114.38 4.04 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.18 -0.95 . . . . 0.0 109.319 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.43 139.4 37.35 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.289 -0.882 . . . . 0.0 109.446 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.724 HD21 ' OD2' ' A' ' 59' ' ' ASP . 7.2 mp -62.78 -9.53 9.72 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.248 -0.907 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.86 38.5 1.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.278 -0.889 . . . . 0.0 109.241 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 57.23 31.85 20.75 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.225 -0.922 . . . . 0.0 109.594 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.79 178.4 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.2 -0.937 . . . . 0.0 109.379 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -134.61 128.53 33.35 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.233 -0.917 . . . . 0.0 109.475 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -132.45 162.97 29.81 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.257 -0.902 . . . . 0.0 109.768 179.857 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -132.01 108.15 9.15 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -102.02 160.81 14.18 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.266 -0.896 . . . . 0.0 109.434 -179.17 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.421 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.7 m -78.8 152.19 31.52 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 120.979 -1.075 . . . . 0.0 109.364 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 15' ' ' ASN . 75.8 mt -62.14 -164.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.305 -0.872 . . . . 0.0 109.854 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.89 164.35 26.65 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.237 -0.914 . . . . 0.0 109.405 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 m120 56.72 17.36 3.12 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.25 -0.906 . . . . 0.0 109.599 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -125.02 174.57 7.92 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.309 -0.869 . . . . 0.0 109.602 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HG3' HG23 ' A' ' 42' ' ' VAL . 8.7 ptmt -159.5 -174.24 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -112.6 134.42 54.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.449 -0.782 . . . . 0.0 109.601 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -154.87 72.96 0.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.146 -0.971 . . . . 0.0 109.407 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.35 -131.01 10.41 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -101.92 15.49 28.85 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.248 -1.148 . . . . 0.0 109.479 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -151.55 153.19 34.06 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.247 -0.908 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.6 m -84.68 148.22 26.52 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.173 -0.955 . . . . 0.0 109.293 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.404 HG23 ' HG3' ' A' ' 35' ' ' LYS . 35.1 m -120.83 172.9 7.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 O-C-N 121.116 -0.99 . . . . 0.0 109.702 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 146.92 53.8 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.272 -0.892 . . . . 0.0 109.511 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -124.12 67.68 44.94 Favored Pre-proline 0 C--N 1.331 -0.232 0 O-C-N 121.281 -0.887 . . . . 0.0 109.446 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -33.86 -34.12 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.769 1 C-N-CA 125.973 4.449 . . . . 0.0 110.619 179.66 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -133.59 86.11 40.65 Favored Pre-proline 0 CA--C 1.532 0.251 0 O-C-N 121.25 -0.906 . . . . 0.0 109.529 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -89.23 165.99 5.52 Favored 'Trans proline' 0 N--CA 1.478 0.609 1 C-N-CA 125.504 4.136 . . . . 0.0 110.197 179.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.706 ' HA ' HD11 ' A' ' 74' ' ' ILE . 9.4 t -159.9 -167.41 1.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.21 -0.931 . . . . 0.0 109.818 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.7 m -104.42 -20.5 13.7 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -62.5 -12.67 23.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.425 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 2.4 mt-10 -75.1 53.78 0.64 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.078 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 p30 42.07 59.1 2.7 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 109.947 -178.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.464 HD22 ' C ' ' A' ' 57' ' ' ASP . 6.6 t30 66.72 55.59 0.76 Allowed 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.467 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.47 -46.05 16.41 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.04 -16.3 75.06 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.1 m -111.43 161.69 15.85 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 120.981 -1.305 . . . . 0.0 110.422 -179.596 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.464 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.7 OUTLIER -64.13 -92.24 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.371 -0.83 . . . . 0.0 109.472 179.852 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.69 -9.89 0.21 Allowed 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.261 -0.9 . . . . 0.0 109.422 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.724 ' OD2' HD21 ' A' ' 22' ' ' LEU . 70.0 m-20 -132.71 -14.5 2.8 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.275 -0.89 . . . . 0.0 109.599 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.81 167.11 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.187 -0.946 . . . . 0.0 109.547 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -87.49 125.38 34.28 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.255 -0.903 . . . . 0.0 109.408 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.84 159.07 15.16 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.185 -0.947 . . . . 0.0 109.81 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.62 156.67 30.48 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.441 -0.787 . . . . 0.0 109.083 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -138.72 18.61 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.075 -1.016 . . . . 0.0 109.6 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 65' ' ' GLU . 32.3 mt-10 . . . . . 0 C--N 1.331 -0.227 0 O-C-N 121.311 -0.868 . . . . 0.0 109.339 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 150.55 48.53 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.23 -0.919 . . . . 0.0 109.427 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' A' ' 48' ' ' THR . 1.2 mm -124.13 152.94 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.26 -0.9 . . . . 0.0 109.291 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 m -147.23 157.45 43.6 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.187 -0.946 . . . . 0.0 109.47 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -159.61 145.18 15.75 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.179 -0.95 . . . . 0.0 109.519 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -144.74 111.86 5.96 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.331 -0.856 . . . . 0.0 109.098 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.38 75.93 9.27 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.245 -0.909 . . . . 0.0 109.149 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 79' ' ' THR . 12.4 t -75.67 44.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.271 -0.893 . . . . 0.0 109.526 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.41 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -113.4 175.5 1.83 Allowed Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 121.201 -0.937 . . . . 0.0 109.408 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 10.9 Cg_endo -87.51 139.85 5.09 Favored 'Trans proline' 0 N--CA 1.476 0.495 0 C-N-CA 125.292 3.995 . . . . 0.0 109.794 179.598 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t70 66.99 2.35 2.67 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.367 -0.833 . . . . 0.0 109.402 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.07 121.51 16.28 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 121.173 -0.954 . . . . 0.0 109.003 179.662 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.419 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 9.6 m-85 -141.52 78.98 17.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 O-C-N 121.159 -0.963 . . . . 0.0 109.787 -179.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 22.6 Cg_exo -31.94 150.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.484 0.918 1 C-N-CA 125.974 4.449 . . . . 0.0 110.88 179.69 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.513 HD11 ' CG ' ' A' ' 5' ' ' HIS . 33.4 mt -115.97 -26.23 7.39 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.224 -0.922 . . . . 0.0 109.87 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CE2' HD21 ' A' ' 31' ' ' LEU . 91.2 m-85 -127.66 -14.13 5.22 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.078 -1.014 . . . . 0.0 109.68 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 166.88 -47.94 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . 173.07 12.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.688 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.4 pt -94.42 10.5 4.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 O-C-N 121.224 -1.162 . . . . 0.0 109.461 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.688 ' CE2' HD12 ' A' ' 90' ' ' ILE . 70.9 m-85 -154.67 44.97 0.52 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.279 -0.888 . . . . 0.0 109.562 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.95 77.18 5.42 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.086 -1.009 . . . . 0.0 109.288 179.799 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.329 -0.3 0 O-C-N 121.227 -0.921 . . . . 0.0 109.66 -179.954 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.453 ' CE1' HD11 ' A' ' 86' ' ' LEU . 48.7 p-80 . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.33 139.55 32.97 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.187 -0.946 . . . . 0.0 109.496 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.73 132.31 51.12 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.293 -0.88 . . . . 0.0 109.474 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -87.43 98.47 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 121.298 -0.876 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.68 13.22 5.14 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.229 -0.919 . . . . 0.0 109.39 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.54 123.89 45.36 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.29 -0.881 . . . . 0.0 109.389 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -117.42 119.32 34.72 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 169.09 17.88 Favored Pre-proline 0 CA--C 1.532 0.268 0 O-C-N 121.256 -0.903 . . . . 0.0 109.205 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -90.41 163.48 4.47 Favored 'Trans proline' 0 N--CA 1.479 0.634 1 C-N-CA 125.388 4.059 . . . . 0.0 110.575 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -56.02 175.94 0.09 Allowed 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.301 -0.875 . . . . 0.0 109.275 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 55.22 28.95 11.9 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 121.25 -0.906 . . . . 0.0 108.851 -179.783 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -162.27 155.57 20.48 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.366 -0.834 . . . . 0.0 109.465 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.06 153.71 19.93 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.58 140.93 50.01 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.234 -1.156 . . . . 0.0 109.574 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.476 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 1.8 t80 -146.64 48.85 1.16 Allowed 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.252 -0.905 . . . . 0.0 109.569 -179.738 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.565 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 10.2 ttm180 -90.77 92.21 8.7 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.494 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.604 ' NE2' HD11 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -160.07 -164.11 1.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 120.808 -1.182 . . . . 0.0 109.691 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.604 HD11 ' NE2' ' A' ' 21' ' ' HIS . 1.7 mt 72.64 -52.75 0.7 Allowed 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -178.838 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.34 18.53 12.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.61 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 68.24 -0.45 2.16 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.497 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.91 104.35 2.29 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.114 -0.991 . . . . 0.0 109.113 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.565 ' HB2' ' HA ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -128.75 -103.68 0.31 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.97 -1.081 . . . . 0.0 109.367 179.305 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 175.57 177.61 0.19 Allowed 'General case' 0 N--CA 1.465 0.285 0 O-C-N 120.78 -1.2 . . . . 0.0 110.083 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 m -96.7 132.27 42.54 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.342 -0.849 . . . . 0.0 109.478 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.33 139.03 45.94 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.515 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -54.17 152.05 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.225 -0.922 . . . . 0.0 109.693 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.479 HD23 ' CD1' ' A' ' 90' ' ' ILE . 43.7 mt -60.2 -164.86 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.264 -0.898 . . . . 0.0 109.914 -179.709 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.63 163.51 27.25 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.243 -0.911 . . . . 0.0 109.702 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.7 m120 56.87 17.79 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.416 -0.802 . . . . 0.0 109.593 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.77 177.11 5.61 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.243 -0.911 . . . . 0.0 109.324 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -160.95 -175.4 4.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.4 142.09 45.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.359 -0.838 . . . . 0.0 109.682 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.474 ' OE1' HG11 ' A' ' 42' ' ' VAL . 5.7 tt0 -153.4 64.82 0.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.326 -0.859 . . . . 0.0 109.355 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.4 -103.62 1.99 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -125.91 2.19 7.34 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.238 -1.154 . . . . 0.0 109.331 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.49 140.31 48.31 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.331 -0.856 . . . . 0.0 108.988 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.3 m -78.26 144.22 36.37 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.065 -1.022 . . . . 0.0 109.395 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.474 HG11 ' OE1' ' A' ' 37' ' ' GLU . 30.7 m -121.58 175.57 4.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 O-C-N 121.196 -0.94 . . . . 0.0 109.79 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.85 137.46 57.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.291 -0.881 . . . . 0.0 109.655 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -106.6 115.28 60.89 Favored Pre-proline 0 CA--C 1.536 0.429 0 O-C-N 121.329 -0.857 . . . . 0.0 109.485 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -89.33 -15.52 2.34 Favored 'Trans proline' 0 N--CA 1.479 0.63 0 C-N-CA 124.739 3.626 . . . . 0.0 110.168 179.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.28 84.53 35.34 Favored Pre-proline 0 C--N 1.331 -0.225 0 O-C-N 121.344 -0.847 . . . . 0.0 109.234 179.869 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -90.83 132.39 1.61 Allowed 'Trans proline' 0 N--CA 1.476 0.492 1 C-N-CA 125.661 4.241 . . . . 0.0 110.664 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.421 HG23 ' HG2' ' A' ' 51' ' ' GLU . 14.2 t -141.25 -158.94 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.336 -0.852 . . . . 0.0 109.256 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.86 -26.36 4.45 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.61 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -70.84 2.5 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.265 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HG2' HG23 ' A' ' 48' ' ' THR . 10.5 pt-20 -100.35 48.14 0.92 Allowed 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.428 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p30 43.08 73.57 0.14 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.421 0.629 . . . . 0.0 109.72 -178.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.486 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.3 OUTLIER 63.5 90.28 0.08 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 122.653 1.216 . . . . 0.0 108.587 -179.379 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.54 37.78 3.47 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 107.709 -2.157 . . . . 0.0 107.709 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.825 ' O ' HG22 ' A' ' 90' ' ' ILE . . . 128.26 -14.87 6.17 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.765 -2.134 . . . . 0.0 107.765 -178.585 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.486 ' C ' HD22 ' A' ' 53' ' ' ASN . 56.9 m -112.08 132.41 54.85 Favored 'General case' 0 N--CA 1.461 0.112 0 O-C-N 121.365 -1.079 . . . . 0.0 108.585 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.452 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -43.71 135.99 3.64 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.298 0.571 . . . . 0.0 110.298 -179.08 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.5 -34.08 56.76 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.458 -0.776 . . . . 0.0 109.741 -179.496 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.5 5.89 50.05 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.219 -0.926 . . . . 0.0 109.541 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.452 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . . . -102.0 172.32 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.142 -0.974 . . . . 0.0 109.933 -179.695 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 136.88 34.57 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.455 -0.778 . . . . 0.0 108.913 179.52 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.412 ' SG ' HD12 ' A' ' 74' ' ' ILE . 12.6 t -112.7 136.97 51.67 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.286 -0.884 . . . . 0.0 109.473 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p -123.78 140.18 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.215 -0.928 . . . . 0.0 109.447 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.93 -19.05 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.322 -0.861 . . . . 0.0 109.398 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' ' 65' ' ' GLU . 7.7 pt-20 . . . . . 0 C--N 1.33 -0.26 0 O-C-N 121.281 -0.887 . . . . 0.0 109.509 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 mttt . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 124.55 49.72 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.232 -0.918 . . . . 0.0 109.431 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.545 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.5 mm -117.33 106.8 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.265 -0.897 . . . . 0.0 109.353 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.03 157.07 17.98 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.209 -0.932 . . . . 0.0 109.542 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.0 m -136.98 152.31 50.0 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.254 -0.904 . . . . 0.0 109.364 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -165.96 109.92 0.81 Allowed 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.251 -0.906 . . . . 0.0 109.37 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 31.9 m -61.14 117.06 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.191 -0.943 . . . . 0.0 109.58 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 79' ' ' THR . 10.4 t -78.2 43.95 0.47 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.244 -0.91 . . . . 0.0 109.116 179.714 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -122.28 169.7 9.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 O-C-N 121.359 -0.838 . . . . 0.0 109.319 -179.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -82.13 -35.04 0.39 Allowed 'Trans proline' 0 N--CA 1.479 0.642 0 C-N-CA 124.989 3.793 . . . . 0.0 109.598 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -90.78 19.56 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.5 p -55.07 98.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.623 -0.673 . . . . 0.0 109.612 -179.725 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -127.04 71.53 75.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 O-C-N 121.314 -0.866 . . . . 0.0 109.178 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -30.05 148.18 0.02 OUTLIER 'Trans proline' 0 N--CA 1.482 0.816 1 C-N-CA 126.206 4.604 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' A' ' 91' ' ' PHE . 55.1 mt -102.47 -30.39 11.03 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.257 -0.902 . . . . 0.0 109.66 -179.806 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.597 ' CD2' HD11 ' A' ' 90' ' ' ILE . 88.6 m-85 -130.85 -18.75 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.098 -1.001 . . . . 0.0 109.709 -179.704 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 169.07 -40.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.754 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.97 23.59 0.02 OUTLIER Glycine 0 CA--C 1.528 0.902 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.825 HG22 ' O ' ' A' ' 55' ' ' GLY . 24.8 pt -96.4 -33.22 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 O-C-N 121.151 -1.205 . . . . 0.0 109.108 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.776 ' HB2' HD12 ' A' ' 86' ' ' LEU . 21.4 m-85 -136.51 120.28 17.35 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.39 -0.819 . . . . 0.0 109.383 179.755 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -164.84 0.89 Allowed 'General case' 0 N--CA 1.464 0.249 0 O-C-N 120.991 -1.068 . . . . 0.0 109.376 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.239 0 O-C-N 121.381 -0.825 . . . . 0.0 109.436 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.419 ' CD2' ' HB2' ' A' ' 93' ' ' SER . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -92.05 4.0 54.05 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.296 -0.877 . . . . 0.0 109.363 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.3 m 55.92 -173.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.242 -0.911 . . . . 0.0 109.556 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 9' ' ' LYS . 13.4 p -153.85 -38.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 O-C-N 121.317 -0.864 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.473 ' N ' HG13 ' A' ' 8' ' ' VAL . 2.1 ttpm? -101.57 -31.87 10.64 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.293 -0.879 . . . . 0.0 109.392 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' HZ1' ' C ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -55.39 166.32 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.335 -0.853 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -155.03 56.53 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.295 -0.878 . . . . 0.0 109.564 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 m -54.8 170.92 0.32 Allowed Pre-proline 0 CA--C 1.533 0.297 0 O-C-N 121.261 -0.9 . . . . 0.0 109.338 179.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -88.71 161.39 6.33 Favored 'Trans proline' 0 N--CA 1.479 0.62 1 C-N-CA 125.334 4.023 . . . . 0.0 110.335 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -54.64 174.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.281 -0.887 . . . . 0.0 109.526 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.437 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 20.1 m-20 55.82 25.96 9.05 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.2 -0.937 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 t -163.56 120.9 1.82 Allowed 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.254 -0.903 . . . . 0.0 109.714 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.404 ' HA3' ' CZ ' ' A' ' 91' ' ' PHE . . . -94.5 170.49 29.8 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.93 159.4 16.06 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.237 -1.155 . . . . 0.0 109.703 -179.789 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.68 ' CE2' HD12 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -139.42 116.27 10.87 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.212 -0.93 . . . . 0.0 108.78 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.96 81.59 1.69 Allowed 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.107 -0.996 . . . . 0.0 109.795 -179.622 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.456 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 1.2 p80 -179.68 -48.81 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.182 -0.949 . . . . 0.0 110.274 179.496 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.68 HD12 ' CE2' ' A' ' 19' ' ' PHE . 12.7 mt -76.79 1.61 16.82 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.073 -1.017 . . . . 0.0 109.906 -179.432 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.52 6.24 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.29 -0.881 . . . . 0.0 108.904 179.785 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 54.1 20.08 2.37 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.46 -0.775 . . . . 0.0 109.481 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -133.57 146.15 50.73 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.288 -0.883 . . . . 0.0 109.295 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' C ' ' HZ1' ' A' ' 10' ' ' LYS . 7.3 mt-10 -92.34 125.32 36.95 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.286 -0.884 . . . . 0.0 109.423 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -136.97 162.84 32.19 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.304 -0.872 . . . . 0.0 109.529 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.8 m -119.27 97.79 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.324 -0.86 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.36 133.72 42.37 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.249 -0.907 . . . . 0.0 108.991 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.1 158.74 10.66 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.107 -0.995 . . . . 0.0 109.364 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' A' ' 87' ' ' PHE . 92.2 mt -79.86 -168.41 1.6 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.205 -0.935 . . . . 0.0 109.593 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.0 mt -68.44 157.69 35.3 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.289 -0.882 . . . . 0.0 109.398 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 59.4 15.37 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.26 -0.9 . . . . 0.0 109.47 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 19.3 m-85 -132.0 118.59 19.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.382 -0.824 . . . . 0.0 109.491 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -97.42 -173.69 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -120.49 121.72 39.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.502 -0.749 . . . . 0.0 109.61 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.79 97.56 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.334 -0.854 . . . . 0.0 109.297 179.72 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.37 -98.1 1.62 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -134.13 8.4 3.74 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.227 -1.16 . . . . 0.0 109.267 179.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.37 122.05 25.69 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.31 -0.869 . . . . 0.0 109.338 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.88 143.09 52.9 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.123 -0.986 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.9 m -123.81 178.37 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 O-C-N 121.124 -0.985 . . . . 0.0 109.494 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.09 134.1 42.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.234 -0.916 . . . . 0.0 109.38 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.472 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.7 t-20 -109.43 128.39 25.49 Favored Pre-proline 0 CA--C 1.536 0.418 0 O-C-N 121.331 -0.856 . . . . 0.0 109.362 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.5 Cg_endo -90.73 -15.99 1.63 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.662 3.575 . . . . 0.0 110.041 179.662 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -148.99 85.88 5.84 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 121.32 -0.862 . . . . 0.0 109.453 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -89.76 160.05 5.14 Favored 'Trans proline' 0 N--CA 1.477 0.539 1 C-N-CA 125.487 4.125 . . . . 0.0 110.102 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.511 ' HA ' HD11 ' A' ' 74' ' ' ILE . 9.6 t -152.21 -168.25 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.13 -0.981 . . . . 0.0 109.825 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.7 m -104.2 -20.63 13.74 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.284 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -62.0 -13.1 22.56 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' CD ' ' H ' ' A' ' 48' ' ' THR . 2.0 mt-10 -75.13 52.07 0.56 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.18 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 p30 42.03 59.91 2.43 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.299 0.571 . . . . 0.0 109.909 -178.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.469 HD22 ' C ' ' A' ' 57' ' ' ASP . 6.6 t30 67.0 55.89 0.69 Allowed 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -179.48 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.11 -49.7 15.27 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.9 -13.07 78.59 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.17 151.57 28.05 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.051 -1.264 . . . . 0.0 110.563 -179.507 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.469 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.2 OUTLIER -57.62 -94.3 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 O-C-N 121.374 -0.829 . . . . 0.0 109.722 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.81 -27.29 0.49 Allowed 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.08 -13.83 10.56 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.174 -0.954 . . . . 0.0 109.607 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.79 139.19 53.2 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.165 -0.96 . . . . 0.0 109.38 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -69.51 132.25 45.99 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.132 -0.98 . . . . 0.0 109.6 -179.821 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.16 161.02 14.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.494 -0.754 . . . . 0.0 109.327 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.78 173.85 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.269 -0.894 . . . . 0.0 109.402 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -145.52 42.93 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.239 -0.913 . . . . 0.0 109.324 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 . . . . . 0 C--N 1.33 -0.276 0 O-C-N 121.29 -0.881 . . . . 0.0 109.506 -179.992 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -147.79 155.1 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.292 -0.88 . . . . 0.0 109.558 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -140.9 149.51 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 O-C-N 121.314 -0.867 . . . . 0.0 109.164 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.38 154.05 49.01 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.181 -0.949 . . . . 0.0 109.624 -179.774 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -160.61 134.53 7.04 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.234 -0.916 . . . . 0.0 109.547 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -144.88 138.98 27.35 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.313 -0.867 . . . . 0.0 109.125 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.02 126.34 35.38 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.183 -0.948 . . . . 0.0 109.246 -179.821 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 79' ' ' THR . 3.3 t -82.67 17.18 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.287 -0.883 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -89.23 169.05 13.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 O-C-N 121.299 -0.876 . . . . 0.0 109.28 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.405 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 10.1 Cg_endo -84.95 127.86 3.62 Favored 'Trans proline' 0 N--CA 1.477 0.55 0 C-N-CA 124.868 3.712 . . . . 0.0 109.275 179.323 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER 72.81 -52.71 0.71 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.881 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.3 OUTLIER 61.08 158.87 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.468 -0.77 . . . . 0.0 110.092 179.264 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 83' ' ' SER . 54.7 m-85 -151.31 99.44 3.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 O-C-N 121.389 -0.819 . . . . 0.0 108.841 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.563 ' O ' HD23 ' A' ' 86' ' ' LEU . 9.4 Cg_endo -87.29 163.94 8.34 Favored 'Trans proline' 0 N--CA 1.478 0.594 0 C-N-CA 125.189 3.926 . . . . 0.0 110.464 -179.455 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 85' ' ' PRO . 47.6 mt -125.66 -13.09 6.54 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.292 -0.88 . . . . 0.0 109.599 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD2' HD22 ' A' ' 31' ' ' LEU . 98.8 m-85 -146.45 -13.67 0.45 Allowed 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.135 -0.978 . . . . 0.0 109.802 -179.707 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 166.64 -50.43 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.43 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . 178.43 5.97 0.02 OUTLIER Glycine 0 CA--C 1.529 0.939 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.894 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.748 HD12 ' CE1' ' A' ' 91' ' ' PHE . 0.4 OUTLIER -83.88 2.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 O-C-N 121.348 -1.089 . . . . 0.0 109.32 179.889 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.748 ' CE1' HD12 ' A' ' 90' ' ' ILE . 37.1 m-85 -141.76 49.12 1.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.161 -0.962 . . . . 0.0 109.456 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.42 -171.05 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.133 -0.98 . . . . 0.0 109.92 -179.845 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.419 ' HB2' ' CD2' ' A' ' 5' ' ' HIS . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.222 0 O-C-N 121.328 -0.857 . . . . 0.0 109.164 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.461 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.244 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -55.22 -72.05 0.07 Allowed 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.232 -0.918 . . . . 0.0 109.158 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 p 175.4 -102.77 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.04 -1.038 . . . . 0.0 109.199 179.59 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.646 HG21 ' HD3' ' A' ' 25' ' ' ARG . 50.7 t -145.25 -77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 O-C-N 121.045 -1.034 . . . . 0.0 109.442 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -155.97 -3.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -63.57 129.62 40.95 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.194 -0.941 . . . . 0.0 109.289 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -97.9 116.51 30.26 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.268 -0.895 . . . . 0.0 109.583 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -95.87 174.69 3.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.25 -0.906 . . . . 0.0 109.272 179.785 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -89.44 163.62 5.44 Favored 'Trans proline' 0 N--CA 1.477 0.5 1 C-N-CA 125.53 4.153 . . . . 0.0 110.336 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -54.78 174.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.305 -0.872 . . . . 0.0 109.422 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.849 ' HA ' HD12 ' A' ' 31' ' ' LEU . 4.6 m120 58.63 16.7 4.5 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.206 -0.934 . . . . 0.0 109.304 -179.835 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.9 t -168.3 121.8 0.88 Allowed 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.126 -0.984 . . . . 0.0 110.136 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.17 -148.97 16.76 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.267 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -142.2 143.52 32.97 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.004 -1.292 . . . . 0.0 109.827 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.461 ' CZ ' ' CD2' ' A' ' 5' ' ' HIS . 24.5 t80 -148.67 168.61 22.4 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 121.061 -1.024 . . . . 0.0 109.758 179.061 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.527 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 8.0 mtp180 -114.93 121.18 42.39 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 178.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.472 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -77.03 39.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 120.535 -1.353 . . . . 0.0 109.375 -179.637 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.708 HD11 ' OD1' ' A' ' 59' ' ' ASP . 2.2 mt 66.81 2.65 2.7 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.833 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 21' ' ' HIS . 13.6 p-10 -96.4 35.5 1.47 Allowed 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.736 -0.602 . . . . 0.0 109.617 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 71.09 -38.4 0.42 Allowed 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.5 -0.75 . . . . 0.0 110.782 179.553 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.646 ' HD3' HG21 ' A' ' 8' ' ' VAL . 2.8 mtt180 -162.97 113.11 1.4 Allowed 'General case' 0 C--N 1.333 -0.143 0 O-C-N 120.786 -1.196 . . . . 0.0 110.607 -179.693 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.527 ' HB2' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -91.97 -89.55 0.18 Allowed 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.048 -1.033 . . . . 0.0 109.852 179.312 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' H ' ' HB3' ' A' ' 26' ' ' GLU . 1.6 mt-10 166.35 -174.02 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 -179.681 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.3 m -77.41 113.58 15.35 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.431 -0.793 . . . . 0.0 109.211 179.609 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -105.35 140.75 38.01 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.217 -0.927 . . . . 0.0 108.988 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 2.8 m -60.78 161.04 8.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.076 -1.015 . . . . 0.0 109.555 -179.755 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.849 HD12 ' HA ' ' A' ' 15' ' ' ASN . 20.5 mt -78.7 -166.05 0.82 Allowed 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.196 -0.94 . . . . 0.0 109.653 -179.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.881 HD12 HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -70.6 156.65 39.16 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.258 -0.901 . . . . 0.0 109.678 -179.885 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 57.73 16.43 3.5 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.362 -0.836 . . . . 0.0 109.5 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 16.6 m-85 -129.52 117.79 21.04 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.405 -0.809 . . . . 0.0 109.135 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 5.3 ptmt -97.88 -175.1 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.257 -0.902 . . . . 0.0 109.339 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -127.47 132.63 49.98 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.553 -0.717 . . . . 0.0 109.445 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -139.28 74.01 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.281 -0.887 . . . . 0.0 109.389 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.58 -99.38 1.29 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -133.48 6.83 3.82 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.276 -1.132 . . . . 0.0 109.344 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -134.19 127.15 31.38 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.371 -0.83 . . . . 0.0 109.35 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.3 m -79.07 144.13 34.9 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.2 -0.937 . . . . 0.0 109.392 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.401 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 22.5 m -121.43 179.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.203 -0.936 . . . . 0.0 109.426 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.51 122.98 22.22 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.232 -0.918 . . . . 0.0 109.689 -179.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 14.4 t-20 -100.54 115.73 65.07 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 121.347 -0.846 . . . . 0.0 109.138 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 12.1 Cg_endo -89.08 -14.74 2.66 Favored 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 124.791 3.661 . . . . 0.0 110.36 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -131.11 89.15 42.89 Favored Pre-proline 0 CA--C 1.532 0.278 0 O-C-N 121.189 -0.944 . . . . 0.0 109.697 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -90.71 161.38 4.2 Favored 'Trans proline' 0 N--CA 1.478 0.568 1 C-N-CA 125.488 4.126 . . . . 0.0 109.792 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.866 HG21 ' CG ' ' A' ' 51' ' ' GLU . 14.4 t -140.93 -154.6 0.53 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.013 -1.055 . . . . 0.0 110.272 -179.498 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.487 ' N ' HG23 ' A' ' 48' ' ' THR . 21.4 m -152.92 -44.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.598 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -62.91 -8.47 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.408 -0.808 . . . . 0.0 109.437 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.866 ' CG ' HG21 ' A' ' 48' ' ' THR . 42.3 mm-40 -83.55 56.57 3.66 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.143 -0.973 . . . . 0.0 108.722 179.49 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.3 p30 41.33 62.57 1.46 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.036 0.446 . . . . 0.0 110.512 -179.428 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.88 86.44 0.13 Allowed 'General case' 0 N--CA 1.464 0.232 0 O-C-N 121.557 -0.714 . . . . 0.0 109.8 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.44 -22.81 32.48 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 108.451 -1.86 . . . . 0.0 108.451 178.537 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.709 ' O ' HG22 ' A' ' 90' ' ' ILE . . . 160.66 11.0 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 107.546 -2.222 . . . . 0.0 107.546 -179.783 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.533 ' O ' ' O ' ' A' ' 57' ' ' ASP . 9.0 m -98.02 66.03 1.81 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 118.84 -1.144 . . . . 0.0 110.253 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.533 ' O ' ' O ' ' A' ' 56' ' ' CYS . 2.0 t0 39.12 119.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 122.335 1.064 . . . . 0.0 112.844 179.591 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.63 -17.69 0.56 Allowed 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.821 -1.175 . . . . 0.0 110.308 178.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.708 ' OD1' HD11 ' A' ' 22' ' ' LEU . 7.2 m-20 -104.71 -17.69 14.55 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 120.983 -1.073 . . . . 0.0 109.632 179.536 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.528 ' H ' ' HB3' ' A' ' 57' ' ' ASP . . . -83.61 141.65 31.39 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 121.125 -0.985 . . . . 0.0 109.378 179.787 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -72.04 126.39 29.66 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.241 -0.912 . . . . 0.0 109.412 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -86.55 140.7 29.64 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.195 -0.941 . . . . 0.0 109.375 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.1 142.21 40.21 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.222 -0.923 . . . . 0.0 109.634 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.22 13.17 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.274 -0.891 . . . . 0.0 109.496 -179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 C--N 1.331 -0.226 0 O-C-N 121.359 -0.838 . . . . 0.0 109.619 -179.868 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.213 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.72 138.08 40.85 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.207 -0.933 . . . . 0.0 109.509 -179.898 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 mm -122.77 141.62 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 121.239 -0.913 . . . . 0.0 109.403 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 m -148.58 150.17 32.85 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.165 -0.959 . . . . 0.0 109.631 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.465 ' SG ' HD11 ' A' ' 32' ' ' LEU . 2.8 m -107.47 158.53 17.13 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.306 -0.872 . . . . 0.0 109.239 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -150.03 94.4 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.226 -0.921 . . . . 0.0 109.451 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.8 m -66.78 112.21 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.262 -0.898 . . . . 0.0 109.507 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 79' ' ' THR . 15.4 t -80.45 44.2 0.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.263 -0.898 . . . . 0.0 109.509 -179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -126.15 168.24 14.71 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.256 -0.903 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -85.01 -42.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.479 0.63 0 C-N-CA 125.063 3.842 . . . . 0.0 109.902 179.841 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.02 18.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.341 -0.85 . . . . 0.0 108.941 179.535 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.0 p -62.01 109.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.353 -0.842 . . . . 0.0 109.663 -179.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -135.07 70.49 69.72 Favored Pre-proline 0 C--N 1.327 -0.384 0 O-C-N 121.375 -0.828 . . . . 0.0 109.213 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -30.84 112.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.481 0.771 1 C-N-CA 126.199 4.599 . . . . 0.0 111.093 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.11 -19.98 59.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.252 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.509 ' CG ' HD22 ' A' ' 31' ' ' LEU . 54.8 m-85 -133.13 -107.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.536 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.48 29.77 7.78 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.584 -0.697 . . . . 0.0 109.963 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.65 -16.24 40.69 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 119.616 -1.278 . . . . 0.0 110.343 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.881 HG23 HD12 ' A' ' 32' ' ' LEU . 14.6 pt -55.0 -34.66 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 121.127 -1.22 . . . . 0.0 109.374 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.804 ' CE2' HD12 ' A' ' 90' ' ' ILE . 20.2 m-85 -135.74 125.36 25.28 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.317 -0.864 . . . . 0.0 109.502 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -109.86 137.43 47.67 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.323 -0.86 . . . . 0.0 109.363 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 O-C-N 121.204 -0.935 . . . . 0.0 109.687 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -11.87 17.32 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.31 -0.869 . . . . 0.0 109.284 179.813 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.71 151.14 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.451 -0.781 . . . . 0.0 109.517 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.827 HG12 ' H ' ' A' ' 9' ' ' LYS . 2.0 t -60.87 -159.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 121.29 -0.881 . . . . 0.0 110.518 -178.78 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.827 ' H ' HG12 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -80.33 60.9 3.93 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.169 -0.957 . . . . 0.0 109.347 -179.818 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.497 ' HZ3' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -66.54 -144.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.418 -0.801 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.72 101.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.142 -0.974 . . . . 0.0 109.658 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.2 m -117.35 170.82 5.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 121.255 -0.903 . . . . 0.0 109.079 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -88.9 165.28 5.95 Favored 'Trans proline' 0 N--CA 1.478 0.59 1 C-N-CA 125.433 4.089 . . . . 0.0 110.466 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -54.71 168.99 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.241 -0.912 . . . . 0.0 109.439 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.786 ' HA ' HD12 ' A' ' 31' ' ' LEU . 5.5 m120 55.15 34.79 23.38 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.289 -0.882 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -167.15 120.21 0.96 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.268 -0.895 . . . . 0.0 109.669 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.6 173.51 26.02 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.56 161.33 24.83 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.357 -1.084 . . . . 0.0 109.712 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 10.0 t80 -170.22 107.28 0.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.267 -0.896 . . . . 0.0 109.333 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 20.5 ttp85 -105.93 81.03 1.6 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.198 -0.939 . . . . 0.0 109.559 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.411 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 88.8 m-70 -154.31 -177.16 6.26 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.201 -0.937 . . . . 0.0 110.138 -179.885 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 22' ' ' LEU . 5.1 mt 71.5 -47.18 0.66 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.066 0.46 . . . . 0.0 110.158 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.45 14.88 13.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.285 -0.885 . . . . 0.0 108.645 179.703 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 55.23 19.66 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.476 -0.765 . . . . 0.0 109.222 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HB3' HH11 ' A' ' 25' ' ' ARG . 0.1 OUTLIER -128.7 160.31 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.332 -0.855 . . . . 0.0 108.972 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CB ' ' HZ3' ' A' ' 10' ' ' LYS . 43.0 mt-10 -75.04 143.68 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.205 -0.934 . . . . 0.0 109.815 -179.654 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -152.91 162.25 41.53 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.298 -0.876 . . . . 0.0 109.117 179.769 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.8 m -112.2 112.56 24.25 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.15 -0.969 . . . . 0.0 109.479 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -104.24 139.59 39.04 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.1 m -57.99 165.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 120.91 -1.119 . . . . 0.0 109.72 -179.399 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 15' ' ' ASN . 17.1 mt -76.92 -165.27 0.53 Allowed 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.282 -0.886 . . . . 0.0 109.921 -179.441 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.581 HD12 ' HB2' ' A' ' 88' ' ' ASP . 5.4 mt -71.17 154.94 41.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.313 -0.867 . . . . 0.0 109.629 -179.802 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 56.05 18.78 3.32 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.226 -0.921 . . . . 0.0 109.53 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 13.8 m-85 -126.2 117.42 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.244 -0.91 . . . . 0.0 109.316 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -103.32 -174.66 2.6 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.269 -0.894 . . . . 0.0 109.312 179.786 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -103.93 140.42 37.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.584 -0.697 . . . . 0.0 109.514 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' OE1' HG11 ' A' ' 42' ' ' VAL . 2.1 tt0 -151.88 102.9 2.87 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.194 -0.941 . . . . 0.0 109.347 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.8 -95.46 0.91 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.34 -3.15 2.18 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.312 -1.111 . . . . 0.0 109.444 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.69 134.95 49.59 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.229 -0.92 . . . . 0.0 109.007 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.3 m -69.96 140.25 52.97 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.12 -0.987 . . . . 0.0 109.362 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.409 HG11 ' OE1' ' A' ' 37' ' ' GLU . 22.2 m -111.43 175.37 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 O-C-N 121.154 -0.966 . . . . 0.0 109.807 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.29 134.48 34.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.566 -0.709 . . . . 0.0 109.709 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.435 HD21 ' C ' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -122.14 120.04 28.44 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 121.297 -0.877 . . . . 0.0 109.251 179.786 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -89.31 -16.53 2.1 Favored 'Trans proline' 0 N--CA 1.478 0.616 0 C-N-CA 124.698 3.599 . . . . 0.0 110.201 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.435 ' C ' HD21 ' A' ' 44' ' ' ASN . 1.6 p30 -127.36 85.93 59.79 Favored Pre-proline 0 CA--C 1.531 0.238 0 O-C-N 121.25 -0.906 . . . . 0.0 109.296 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -88.88 173.96 4.03 Favored 'Trans proline' 0 N--CA 1.478 0.562 1 C-N-CA 125.352 4.035 . . . . 0.0 110.23 -179.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.586 HG23 ' N ' ' A' ' 49' ' ' CYS . 10.1 t -151.57 -134.31 0.06 Allowed 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.157 -0.964 . . . . 0.0 109.863 -179.774 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.586 ' N ' HG23 ' A' ' 48' ' ' THR . 13.3 m -145.38 -42.95 0.22 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.345 -0.847 . . . . 0.0 108.872 -179.672 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -65.83 -0.55 2.29 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.562 -0.711 . . . . 0.0 109.523 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.541 ' HG2' HG21 ' A' ' 48' ' ' THR . 72.5 mm-40 -95.7 56.96 1.82 Allowed 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.206 -0.934 . . . . 0.0 108.693 179.542 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p30 41.39 69.48 0.34 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.183 0.516 . . . . 0.0 110.651 -179.452 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 3.4 t-20 59.98 87.49 0.08 Allowed 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.322 -0.862 . . . . 0.0 108.931 179.785 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -88.04 39.17 3.12 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 107.962 -2.055 . . . . 0.0 107.962 178.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.428 ' O ' HG23 ' A' ' 90' ' ' ILE . . . 128.51 -15.2 6.06 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 107.851 -2.1 . . . . 0.0 107.851 -178.848 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ASP . 35.1 m -111.29 113.63 26.24 Favored 'General case' 0 N--CA 1.463 0.175 0 O-C-N 121.534 -0.98 . . . . 0.0 108.985 179.308 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.455 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 33.4 t0 -29.48 138.83 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.378 0.608 . . . . 0.0 111.894 -179.157 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.88 -29.61 42.36 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.52 -0.738 . . . . 0.0 109.114 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.62 -13.89 33.49 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.468 -0.77 . . . . 0.0 109.172 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.412 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -90.74 156.72 17.87 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 121.184 -0.948 . . . . 0.0 109.729 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.428 ' CD ' ' H ' ' A' ' 62' ' ' CYS . 0.0 OUTLIER -79.05 167.9 20.42 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.35 -0.843 . . . . 0.0 109.517 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.428 ' H ' ' CD ' ' A' ' 61' ' ' LYS . 53.3 t -138.44 137.31 37.09 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.273 -0.892 . . . . 0.0 109.431 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -125.57 139.76 53.32 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.21 -0.931 . . . . 0.0 109.407 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.92 1.32 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.415 -0.803 . . . . 0.0 109.364 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' H ' ' CD ' ' A' ' 65' ' ' GLU . 1.4 mp0 . . . . . 0 C--N 1.33 -0.271 0 O-C-N 121.451 -0.781 . . . . 0.0 109.723 -179.703 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.208 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -111.63 125.26 53.75 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.27 -0.894 . . . . 0.0 109.467 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.476 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.8 OUTLIER -122.37 118.54 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 O-C-N 121.22 -0.925 . . . . 0.0 109.318 179.915 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.19 154.79 21.87 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.237 -0.914 . . . . 0.0 109.646 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.9 m -121.34 140.16 52.47 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.289 -0.882 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -140.19 107.28 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.155 -0.966 . . . . 0.0 109.51 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.03 104.5 8.63 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.264 -0.898 . . . . 0.0 109.242 179.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 79' ' ' THR . 13.8 t -76.12 44.76 0.33 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.258 -0.901 . . . . 0.0 109.566 -179.737 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -121.81 168.69 10.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.208 -0.932 . . . . 0.0 109.237 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -87.11 -46.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 125.167 3.912 . . . . 0.0 109.844 179.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -82.88 19.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.387 -0.821 . . . . 0.0 108.79 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 t -56.6 110.79 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.532 -0.73 . . . . 0.0 109.45 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -141.59 70.17 25.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 O-C-N 121.321 -0.862 . . . . 0.0 109.21 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -31.08 122.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.766 1 C-N-CA 126.168 4.578 . . . . 0.0 111.078 -179.879 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.542 HD12 ' CB ' ' A' ' 91' ' ' PHE . 29.1 mt -79.75 -2.88 45.09 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.215 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.555 ' CB ' HD11 ' A' ' 90' ' ' ILE . 82.4 m-85 -151.93 -110.92 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.581 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -110.01 24.35 13.13 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.675 179.54 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.93 55.14 0.79 Allowed Glycine 0 CA--C 1.53 1.003 0 C-N-CA 119.707 -1.235 . . . . 0.0 110.208 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.555 HD11 ' CB ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -128.0 -18.56 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 O-C-N 121.131 -1.217 . . . . 0.0 109.221 179.339 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.542 ' CB ' HD12 ' A' ' 86' ' ' LEU . 32.1 m-85 -137.66 57.6 1.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.325 -0.859 . . . . 0.0 109.508 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.0 m -62.03 -164.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.148 -0.97 . . . . 0.0 109.393 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 O-C-N 121.22 -0.925 . . . . 0.0 109.352 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.53 ' HA ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 121.068 0.461 . . . . 0.0 109.98 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.92 89.61 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.036 -1.04 . . . . 0.0 109.579 179.792 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.5 m -80.06 164.46 23.38 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.308 -0.87 . . . . 0.0 109.384 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.48 -126.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 O-C-N 121.173 -0.954 . . . . 0.0 109.434 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -69.6 -88.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.167 -0.958 . . . . 0.0 109.329 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? 57.35 -166.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.232 -0.917 . . . . 0.0 109.399 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -154.14 76.84 1.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.167 -0.958 . . . . 0.0 109.523 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.3 m -89.77 116.1 65.52 Favored Pre-proline 0 CA--C 1.538 0.494 0 O-C-N 121.236 -0.915 . . . . 0.0 109.28 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -87.13 177.43 3.93 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 124.433 3.422 . . . . 0.0 110.453 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.75 177.15 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.254 -0.904 . . . . 0.0 109.552 -179.877 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 56.8 19.06 4.16 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.278 -0.889 . . . . 0.0 109.404 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t -173.58 128.18 0.42 Allowed 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.211 -0.931 . . . . 0.0 109.449 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.06 163.32 12.92 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.32 161.69 30.2 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.291 -1.123 . . . . 0.0 109.669 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -167.28 116.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.28 -0.887 . . . . 0.0 109.328 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.53 ' H ' ' HA ' ' A' ' 5' ' ' HIS . 1.3 ttt180 -68.26 113.37 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.297 -0.877 . . . . 0.0 109.048 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.32 140.41 27.12 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.361 -0.837 . . . . 0.0 109.542 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.696 ' H ' HD12 ' A' ' 22' ' ' LEU . 6.4 mp -65.15 -5.02 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.347 -0.846 . . . . 0.0 109.498 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.75 32.95 2.68 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.224 -0.922 . . . . 0.0 109.306 179.722 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 63.09 24.84 14.67 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.22 -0.925 . . . . 0.0 109.55 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -112.8 176.5 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.21 -0.931 . . . . 0.0 109.11 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -136.47 123.12 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.21 -0.931 . . . . 0.0 109.474 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.27 161.92 41.85 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.291 -0.881 . . . . 0.0 109.507 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 m -102.35 115.21 30.08 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.312 -0.867 . . . . 0.0 109.359 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -93.3 139.85 30.19 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.177 -0.952 . . . . 0.0 108.927 179.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.9 m -56.14 163.49 1.57 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.133 -0.98 . . . . 0.0 109.421 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.516 HD22 ' CD2' ' A' ' 87' ' ' PHE . 69.4 mt -82.95 -169.16 2.37 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' CD1' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -70.25 156.89 38.64 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.205 -0.934 . . . . 0.0 109.453 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 m120 60.55 14.71 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.26 -0.9 . . . . 0.0 109.287 -179.716 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 12.7 m-85 -129.74 117.28 20.04 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.474 -0.766 . . . . 0.0 109.285 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -103.4 -170.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.326 -0.858 . . . . 0.0 109.349 179.899 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -109.45 142.78 39.97 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.657 -0.652 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -154.7 68.56 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.269 -0.895 . . . . 0.0 109.483 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.39 -111.34 3.68 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -119.73 8.72 11.23 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.291 -1.123 . . . . 0.0 109.481 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.81 133.64 27.24 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.295 -0.878 . . . . 0.0 109.212 179.799 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.3 m -70.62 138.04 50.46 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.147 -0.971 . . . . 0.0 109.396 -179.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.472 HG23 ' HG3' ' A' ' 35' ' ' LYS . 34.1 m -108.81 179.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 121.256 -0.902 . . . . 0.0 109.405 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -77.27 129.91 36.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.28 -0.887 . . . . 0.0 109.308 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 11.0 t-20 -94.31 113.04 59.84 Favored Pre-proline 0 CA--C 1.535 0.375 0 O-C-N 121.419 -0.8 . . . . 0.0 109.396 -179.845 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 11.8 Cg_endo -89.04 -15.4 2.5 Favored 'Trans proline' 0 N--CA 1.476 0.492 0 C-N-CA 124.852 3.701 . . . . 0.0 109.971 179.753 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -136.89 80.87 35.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 121.407 -0.808 . . . . 0.0 109.462 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -88.73 112.89 0.66 Allowed 'Trans proline' 0 N--CA 1.478 0.604 1 C-N-CA 125.422 4.082 . . . . 0.0 110.047 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.544 HG22 ' N ' ' A' ' 49' ' ' CYS . 53.1 m -103.51 164.5 11.62 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.275 -0.891 . . . . 0.0 109.696 -179.404 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.707 ' SG ' HD12 ' A' ' 74' ' ' ILE . 57.6 m -115.97 -35.66 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.303 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -66.38 -7.79 21.37 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.72 52.48 2.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.82 63.81 1.22 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.036 0.446 . . . . 0.0 111.173 -179.58 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.67 80.44 0.21 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.378 -0.826 . . . . 0.0 109.28 179.037 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.36 -55.88 24.54 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.496 ' O ' HG22 ' A' ' 90' ' ' ILE . . . -151.49 15.81 0.85 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 108.576 -1.81 . . . . 0.0 108.576 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.67 171.17 14.92 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 118.024 -1.47 . . . . 0.0 108.767 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.37 130.91 48.37 Favored 'General case' 0 C--O 1.225 -0.214 0 O-C-N 120.834 -1.166 . . . . 0.0 108.246 179.787 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.73 -35.64 56.26 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.688 -0.632 . . . . 0.0 110.045 -179.037 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.35 0.37 54.12 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.061 -1.024 . . . . 0.0 109.477 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.62 -179.16 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.366 -0.834 . . . . 0.0 109.987 -179.653 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -116.4 123.4 47.47 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.382 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.6 t -79.42 136.65 37.01 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.268 -0.895 . . . . 0.0 109.217 -179.786 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.47 151.99 39.98 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.206 -0.934 . . . . 0.0 109.692 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -131.63 14.87 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.313 -0.867 . . . . 0.0 109.159 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 . . . . . 0 C--N 1.331 -0.224 0 O-C-N 121.365 -0.835 . . . . 0.0 109.682 -179.947 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 121.367 0.603 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -58.42 154.68 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.378 -0.826 . . . . 0.0 109.61 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.707 HD12 ' SG ' ' A' ' 49' ' ' CYS . 5.8 mm -130.44 136.41 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 O-C-N 121.371 -0.83 . . . . 0.0 109.206 -179.825 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.45 142.88 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.142 -0.974 . . . . 0.0 109.599 -179.855 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 57.4 m -96.7 160.01 14.61 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.282 -0.886 . . . . 0.0 109.409 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -143.6 101.04 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.346 -0.846 . . . . 0.0 109.108 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 125.85 29.97 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.25 -0.906 . . . . 0.0 109.109 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.441 HG23 ' H ' ' A' ' 79' ' ' THR . 0.1 OUTLIER -91.51 -5.85 53.49 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.245 -0.91 . . . . 0.0 109.716 -179.687 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 169.16 13.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 121.213 -0.929 . . . . 0.0 109.402 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.41 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 14.3 Cg_endo -89.56 -49.18 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.621 1 C-N-CA 125.319 4.013 . . . . 0.0 110.238 179.846 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.41 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -83.77 21.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.329 -0.857 . . . . 0.0 109.082 179.787 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.29 121.12 16.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.492 -0.755 . . . . 0.0 109.421 -179.849 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -140.87 75.09 25.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 121.35 -0.844 . . . . 0.0 109.406 -179.692 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -30.67 115.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.482 0.832 1 C-N-CA 126.097 4.531 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.528 HD11 ' CD2' ' A' ' 5' ' ' HIS . 24.6 mt -75.47 -38.73 59.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.52 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.516 ' CD2' HD22 ' A' ' 31' ' ' LEU . 6.8 m-85 -105.7 -104.01 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -121.4 26.95 8.57 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 121.771 -0.581 . . . . 0.0 109.643 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.15 -18.65 13.96 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 119.674 -1.25 . . . . 0.0 110.241 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.738 HD12 ' CE2' ' A' ' 91' ' ' PHE . 1.7 pt -61.51 -20.97 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 O-C-N 120.928 -1.337 . . . . 0.0 109.457 -179.723 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.738 ' CE2' HD12 ' A' ' 90' ' ' ILE . 18.9 m-85 -138.96 92.69 2.62 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.108 -0.995 . . . . 0.0 109.627 179.814 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 25.0 m -83.17 63.18 7.03 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.068 -1.02 . . . . 0.0 109.399 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.457 ' HB3' HD21 ' A' ' 86' ' ' LEU . 26.8 t . . . . . 0 C--N 1.329 -0.288 0 O-C-N 121.197 -0.939 . . . . 0.0 109.544 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.451 ' CG ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.56 98.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.393 -0.817 . . . . 0.0 109.484 -179.836 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.4 m -72.23 152.48 42.18 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.327 -0.858 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 9' ' ' LYS . 11.2 t -78.06 -121.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.214 -0.929 . . . . 0.0 109.444 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' N ' HG12 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -76.66 58.42 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.256 -0.903 . . . . 0.0 109.488 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.95 -72.76 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.284 -0.885 . . . . 0.0 109.383 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 62.37 165.23 0.1 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.252 -0.905 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.12 158.86 0.69 Allowed Pre-proline 0 CA--C 1.534 0.35 0 O-C-N 121.117 -0.989 . . . . 0.0 109.648 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -31.1 152.41 0.02 OUTLIER 'Trans proline' 0 N--CA 1.483 0.87 1 C-N-CA 126.486 4.791 . . . . 0.0 111.739 -178.917 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.79 177.84 2.88 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 121.393 -0.817 . . . . 0.0 109.126 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m120 56.74 21.65 6.14 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -179.222 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 14.8 t -151.77 146.77 25.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.271 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.11 150.29 17.19 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.58 164.6 26.4 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.156 -1.203 . . . . 0.0 108.91 179.675 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 53.3 t80 -156.4 99.11 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.045 -1.035 . . . . 0.0 110.021 -179.36 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HA ' ' CB ' ' A' ' 26' ' ' GLU . 1.7 ttp180 -72.13 -111.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.284 -0.885 . . . . 0.0 108.859 179.142 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.504 ' CD2' ' CE1' ' A' ' 19' ' ' PHE . 15.5 m-70 58.44 -153.77 0.37 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.436 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 1.0 OUTLIER 58.73 12.22 2.13 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.372 -0.83 . . . . 0.0 109.507 -179.852 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.9 -42.1 0.3 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -162.69 12.31 0.07 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 121.14 -0.975 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . 2.4 mtp180 -112.19 116.66 30.81 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 120.864 -1.147 . . . . 0.0 109.73 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.4 ' CB ' ' HA ' ' A' ' 20' ' ' ARG . 2.0 mp0 -113.76 151.87 31.37 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.311 -0.868 . . . . 0.0 109.516 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -153.71 164.14 38.8 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.193 -0.942 . . . . 0.0 109.865 179.876 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -103.45 108.31 19.51 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.474 -0.766 . . . . 0.0 108.981 179.783 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.15 136.88 48.69 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.281 -0.887 . . . . 0.0 109.23 -179.563 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.417 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 3.5 m -54.34 159.06 2.11 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.179 -0.95 . . . . 0.0 109.929 -179.507 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.8 mt -75.98 -164.77 0.4 Allowed 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.396 -0.815 . . . . 0.0 109.971 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.592 ' HG ' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -70.68 154.75 41.56 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 121.398 -0.814 . . . . 0.0 110.009 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 m120 59.72 12.52 2.98 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.479 -0.763 . . . . 0.0 109.924 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.416 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 23.5 m-85 -126.28 121.34 32.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.299 -0.875 . . . . 0.0 109.403 179.805 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -101.24 -170.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.311 -0.868 . . . . 0.0 108.964 179.372 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -119.93 130.87 55.01 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.569 -0.707 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -145.16 114.89 7.29 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.241 -0.912 . . . . 0.0 109.551 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.57 -102.23 1.09 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.8 13.3 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.271 -1.135 . . . . 0.0 109.435 -179.829 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -143.32 133.91 25.01 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.235 -0.916 . . . . 0.0 109.355 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.96 151.79 45.2 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.156 -0.965 . . . . 0.0 109.17 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.514 HG23 ' HG3' ' A' ' 35' ' ' LYS . 31.1 m -129.17 168.92 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 121.274 -0.891 . . . . 0.0 109.607 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -69.38 116.04 9.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.139 -0.976 . . . . 0.0 109.438 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.629 HD22 ' H ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -79.85 123.72 83.65 Favored Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 121.268 -0.895 . . . . 0.0 109.335 -179.945 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.521 ' CD ' HD22 ' A' ' 44' ' ' ASN . 14.5 Cg_endo -90.28 -15.58 1.91 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 124.705 3.603 . . . . 0.0 110.1 179.688 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.629 ' H ' HD22 ' A' ' 44' ' ' ASN . 3.1 p30 -146.41 90.09 5.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 O-C-N 121.33 -0.856 . . . . 0.0 109.671 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -89.15 132.64 2.29 Favored 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 125.284 3.989 . . . . 0.0 109.675 179.594 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.887 HG21 ' CG ' ' A' ' 51' ' ' GLU . 7.5 t -112.22 -162.33 0.79 Allowed 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.223 -0.923 . . . . 0.0 110.166 -179.305 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.446 ' N ' HG23 ' A' ' 48' ' ' THR . 61.1 m -151.5 -35.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.892 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -68.31 -1.49 6.4 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.887 ' CG ' HG21 ' A' ' 48' ' ' THR . 66.2 mm-40 -97.64 50.38 1.05 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.257 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 p30 41.6 72.79 0.15 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.715 -179.293 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.54 HD21 ' N ' ' A' ' 57' ' ' ASP . 10.8 t-20 70.66 81.6 0.16 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.755 0.788 . . . . 0.0 110.115 179.55 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.49 -58.07 16.49 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 178.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.634 ' O ' HG22 ' A' ' 90' ' ' ILE . . . -141.34 12.73 2.77 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.538 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.445 ' C ' HD21 ' A' ' 53' ' ' ASN . 36.0 m -77.8 -164.64 0.53 Allowed 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.916 -1.344 . . . . 0.0 109.255 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.54 ' N ' HD21 ' A' ' 53' ' ' ASN . 60.6 t0 -54.26 -98.65 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.318 -0.864 . . . . 0.0 110.201 179.442 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -161.93 -47.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -100.67 -9.84 21.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.814 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.38 168.15 15.02 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.676 -0.64 . . . . 0.0 109.672 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -99.96 119.54 38.4 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.302 -0.874 . . . . 0.0 109.207 179.707 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.3 t -79.68 140.48 37.01 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.234 -0.916 . . . . 0.0 109.481 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.73 148.26 52.49 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.282 -0.886 . . . . 0.0 109.163 179.739 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -141.99 -0.22 1.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.153 -0.967 . . . . 0.0 109.677 -179.808 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 CA--C 1.531 0.231 0 O-C-N 121.08 -1.013 . . . . 0.0 109.503 -179.849 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 143.26 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.205 -0.934 . . . . 0.0 109.312 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.3 mm -139.94 116.43 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 121.228 -0.92 . . . . 0.0 109.616 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.75 158.52 21.73 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.24 -0.913 . . . . 0.0 109.206 179.776 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 92.2 m -130.64 111.46 12.23 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.202 -0.936 . . . . 0.0 109.558 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.17 91.73 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.164 -0.96 . . . . 0.0 108.773 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.04 137.25 34.35 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.172 -0.955 . . . . 0.0 110.629 -178.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 79' ' ' THR . 5.9 m -125.81 81.97 2.03 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.869 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -136.69 170.43 10.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.088 -1.007 . . . . 0.0 109.604 -179.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -92.83 139.42 1.74 Allowed 'Trans proline' 0 N--CA 1.477 0.529 1 C-N-CA 125.597 4.198 . . . . 0.0 110.235 179.691 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.78 3.87 2.69 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.217 -0.927 . . . . 0.0 109.598 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.422 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 11.9 m -95.98 135.44 37.74 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 121.214 -0.929 . . . . 0.0 108.814 179.826 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 83' ' ' SER . 16.3 m-85 -150.13 145.83 19.31 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 121.242 -0.911 . . . . 0.0 108.913 -179.602 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -35.36 100.76 0.03 OUTLIER 'Trans proline' 0 N--CA 1.483 0.911 1 C-N-CA 125.496 4.131 . . . . 0.0 109.741 179.609 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.451 HD11 ' CG ' ' A' ' 5' ' ' HIS . 80.9 mt -88.46 -20.25 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.227 -0.921 . . . . 0.0 110.027 -179.017 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.663 ' CD2' HD11 ' A' ' 90' ' ' ILE . 96.5 m-85 -143.69 -42.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.031 -1.043 . . . . 0.0 110.241 -179.349 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.41 15.33 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.272 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 138.87 -21.56 3.01 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 119.214 -1.469 . . . . 0.0 111.02 179.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.663 HD11 ' CD2' ' A' ' 87' ' ' PHE . 1.5 pt -63.26 -7.98 3.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 119.945 -1.915 . . . . 0.0 108.749 179.514 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 79.9 m-85 -154.47 93.26 1.57 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.827 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.52 -176.51 3.07 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.811 -1.18 . . . . 0.0 112.069 -177.342 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 83' ' ' SER . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.189 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.547 179.608 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.214 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -54.84 -87.27 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.228 -0.92 . . . . 0.0 109.384 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.68 -170.37 1.99 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.221 -0.925 . . . . 0.0 109.52 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.85 -45.76 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 O-C-N 121.275 -0.891 . . . . 0.0 109.631 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -171.57 99.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.186 -0.946 . . . . 0.0 109.668 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.13 158.12 27.05 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.318 -0.864 . . . . 0.0 109.414 179.843 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.94 158.51 18.65 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.253 -0.905 . . . . 0.0 109.495 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 4.8 t -157.12 142.12 12.26 Favored Pre-proline 0 CA--C 1.536 0.422 0 O-C-N 121.311 -0.868 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 21.5 Cg_endo -89.98 159.2 4.92 Favored 'Trans proline' 0 N--CA 1.479 0.632 0 C-N-CA 124.549 3.499 . . . . 0.0 110.344 179.652 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -55.6 175.64 0.08 Allowed 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.242 -0.911 . . . . 0.0 109.419 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.856 ' HA ' HD12 ' A' ' 31' ' ' LEU . 1.3 m-20 55.55 36.71 27.71 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.209 -0.932 . . . . 0.0 109.33 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -164.45 118.51 1.39 Allowed 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.252 -0.905 . . . . 0.0 109.568 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.35 156.03 22.02 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.41 154.77 20.93 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.102 -1.234 . . . . 0.0 109.555 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -163.97 134.44 4.3 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.284 -0.885 . . . . 0.0 109.412 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -74.61 147.04 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.234 -0.916 . . . . 0.0 109.174 179.847 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.53 ' C ' ' H ' ' A' ' 23' ' ' ASP . 6.1 m170 -77.48 13.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.168 -0.957 . . . . 0.0 109.647 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 21' ' ' HIS . 3.1 mm? 64.35 -10.09 0.15 Allowed 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.71 -0.619 . . . . 0.0 110.022 -179.119 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.53 ' H ' ' C ' ' A' ' 21' ' ' HIS . 35.1 p-10 -116.95 45.69 1.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.158 -0.964 . . . . 0.0 109.18 179.829 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 71.65 -42.14 0.52 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.739 -0.601 . . . . 0.0 110.063 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -61.85 145.65 52.05 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.008 -1.058 . . . . 0.0 109.509 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -121.18 138.79 54.05 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.231 -0.918 . . . . 0.0 109.129 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.63 178.03 7.9 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.146 -0.971 . . . . 0.0 109.658 -179.801 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.33 121.81 33.64 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.316 -0.865 . . . . 0.0 109.449 -179.893 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -104.2 137.7 41.74 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.23 -0.919 . . . . 0.0 108.904 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.5 m -54.34 162.3 1.12 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.199 -0.938 . . . . 0.0 109.638 -179.639 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 15' ' ' ASN . 16.5 mt -74.6 -166.8 0.48 Allowed 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.336 -0.852 . . . . 0.0 109.876 -179.481 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HG ' HG21 ' A' ' 90' ' ' ILE . 4.4 mt -71.56 155.55 40.42 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.293 -0.88 . . . . 0.0 109.408 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 m120 57.03 18.4 3.98 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.238 -0.914 . . . . 0.0 109.351 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.405 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 22.9 m-85 -128.71 118.88 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.358 -0.839 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.43 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -97.19 -171.33 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.265 -0.897 . . . . 0.0 109.219 179.783 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -133.53 129.69 37.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.549 -0.72 . . . . 0.0 109.345 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -138.64 95.21 2.94 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.232 -0.917 . . . . 0.0 109.496 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.09 -97.57 2.27 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.626 -1.389 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -138.8 13.16 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.252 -1.146 . . . . 0.0 109.57 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.47 130.03 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.224 -0.922 . . . . 0.0 109.5 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.1 m -77.13 151.72 35.24 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.314 -0.866 . . . . 0.0 109.514 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.43 HG23 ' HG3' ' A' ' 35' ' ' LYS . 31.7 m -132.35 177.84 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 121.129 -0.982 . . . . 0.0 109.24 179.765 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.48 115.99 15.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.093 -1.004 . . . . 0.0 109.374 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.428 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.3 t-20 -78.04 128.05 79.84 Favored Pre-proline 0 CA--C 1.535 0.374 0 O-C-N 121.334 -0.854 . . . . 0.0 109.339 -179.906 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 18.3 Cg_endo -90.93 -15.98 1.54 Allowed 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 124.721 3.614 . . . . 0.0 110.071 179.764 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.04 84.22 4.11 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.216 -0.927 . . . . 0.0 109.646 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -90.72 163.17 4.16 Favored 'Trans proline' 0 N--CA 1.476 0.494 1 C-N-CA 125.539 4.159 . . . . 0.0 109.921 179.778 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.492 HG22 ' CG ' ' A' ' 51' ' ' GLU . 10.7 t -163.03 -162.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.127 -0.983 . . . . 0.0 109.823 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.5 m -102.43 -25.07 13.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.381 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -13.42 20.57 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.003 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.492 ' CG ' HG22 ' A' ' 48' ' ' THR . 2.1 mt-10 -75.78 49.36 0.52 Allowed 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.208 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p30 41.24 61.99 1.62 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.102 0.477 . . . . 0.0 109.963 -178.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.408 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.8 OUTLIER 69.5 56.24 0.36 Allowed 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.145 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -46.2 12.37 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 179.796 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.52 -18.21 74.04 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.721 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.408 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.46 172.45 6.88 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.134 -1.215 . . . . 0.0 110.233 -179.893 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.391 -0.818 . . . . 0.0 109.501 179.91 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.53 -10.33 0.3 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.394 -0.816 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.41 -15.86 2.78 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.274 -0.891 . . . . 0.0 109.524 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.53 176.66 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.106 -0.996 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.14 121.75 42.38 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.156 -0.965 . . . . 0.0 109.433 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.4 t -90.67 149.32 22.12 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.31 -0.869 . . . . 0.0 109.515 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.75 150.11 35.63 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.248 -0.908 . . . . 0.0 109.526 -179.862 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -135.74 15.57 3.36 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.256 -0.903 . . . . 0.0 109.362 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.33 -0.248 0 O-C-N 121.307 -0.871 . . . . 0.0 109.621 -179.826 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 121.295 0.569 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.81 145.16 24.78 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.199 -0.938 . . . . 0.0 109.244 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -137.68 116.01 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 121.195 -0.941 . . . . 0.0 109.601 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.07 177.75 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.325 -0.86 . . . . 0.0 109.318 179.892 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.31 162.25 40.12 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.239 -0.913 . . . . 0.0 110.149 -179.892 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -153.52 103.03 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -76.59 102.07 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.257 -0.902 . . . . 0.0 109.342 -179.716 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -77.33 42.62 0.35 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.272 -0.892 . . . . 0.0 109.671 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -122.31 168.36 11.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 121.218 -0.926 . . . . 0.0 109.295 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 11.2 Cg_endo -87.41 -44.49 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.581 0 C-N-CA 125.14 3.894 . . . . 0.0 110.08 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.403 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 2.8 m-20 -81.93 15.81 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.248 -0.908 . . . . 0.0 109.199 179.681 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.3 p -63.65 104.81 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.336 -0.852 . . . . 0.0 109.515 -179.855 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.517 ' H ' ' H ' ' A' ' 93' ' ' SER . 6.9 m-85 -127.01 69.57 73.56 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.273 -0.892 . . . . 0.0 109.228 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -32.2 150.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.481 0.741 1 C-N-CA 126.168 4.579 . . . . 0.0 110.807 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 91' ' ' PHE . 74.6 mt -117.9 -46.33 2.64 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.235 -0.915 . . . . 0.0 109.594 -179.87 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -108.82 -13.16 14.81 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.145 -0.972 . . . . 0.0 109.531 -179.758 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 166.82 -48.56 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.58 8.29 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.662 HD12 ' CE2' ' A' ' 91' ' ' PHE . 1.5 pt -89.23 17.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 O-C-N 121.23 -1.159 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.662 ' CE2' HD12 ' A' ' 90' ' ' ILE . 70.6 m-85 -154.2 37.89 0.44 Allowed 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.317 -0.864 . . . . 0.0 109.436 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.4 m -56.01 116.16 2.83 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.123 -0.985 . . . . 0.0 109.378 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.517 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 O-C-N 121.25 -0.906 . . . . 0.0 109.417 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.455 ' CE1' ' ND1' ' A' ' 21' ' ' HIS . 1.8 m-70 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -67.15 -108.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.298 -0.876 . . . . 0.0 109.347 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.02 162.35 0.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.334 -0.854 . . . . 0.0 109.012 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.757 HG11 HH11 ' A' ' 20' ' ' ARG . 0.9 OUTLIER -164.12 123.96 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 O-C-N 121.044 -1.035 . . . . 0.0 109.88 -179.681 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mttt 53.28 55.52 8.65 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.417 -0.802 . . . . 0.0 109.749 179.649 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -166.6 125.86 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.203 -0.936 . . . . 0.0 109.509 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -121.28 89.02 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.291 -0.881 . . . . 0.0 109.271 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.0 173.38 2.62 Favored Pre-proline 0 CA--C 1.532 0.258 0 O-C-N 121.161 -0.962 . . . . 0.0 108.874 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -89.36 165.34 5.45 Favored 'Trans proline' 0 N--CA 1.478 0.57 1 C-N-CA 125.343 4.028 . . . . 0.0 110.587 -179.827 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -57.05 175.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.319 -0.863 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.771 ' HA ' HD12 ' A' ' 31' ' ' LEU . 3.8 m120 55.25 26.33 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.192 -0.942 . . . . 0.0 109.282 -179.915 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.52 163.15 40.14 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.255 -0.903 . . . . 0.0 109.501 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.81 -168.94 11.95 Favored Glycine 0 CA--C 1.532 1.097 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.0 t -111.44 153.64 25.82 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.103 -1.233 . . . . 0.0 110.154 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.525 ' CE1' ' CD1' ' A' ' 91' ' ' PHE . 0.3 OUTLIER -148.51 106.47 3.71 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.754 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.757 HH11 HG11 ' A' ' 8' ' ' VAL . 29.9 ttp180 -128.96 85.3 2.31 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.11 -0.994 . . . . 0.0 110.413 -179.157 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.48 ' NE2' ' CZ ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 177.97 -179.61 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.56 -0.712 . . . . 0.0 109.384 179.065 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 mt 65.95 3.9 2.79 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.771 0.796 . . . . 0.0 109.694 -179.768 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' H ' ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -171.0 4.89 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.588 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.418 ' H ' ' H ' ' A' ' 23' ' ' ASP . 19.3 mt-10 51.64 23.62 2.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.245 0.545 . . . . 0.0 109.611 -179.905 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -110.8 169.56 8.68 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.23 -0.919 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' OE2' HG13 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -115.57 125.79 53.41 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.232 -0.918 . . . . 0.0 109.6 -179.808 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -145.63 159.36 43.26 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.233 -0.917 . . . . 0.0 109.672 179.831 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 69.7 m -109.9 126.79 54.23 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.384 -0.822 . . . . 0.0 109.275 179.77 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -107.19 176.34 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.22 -0.925 . . . . 0.0 108.76 179.695 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.419 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 4.1 m -98.36 158.71 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 120.995 -1.065 . . . . 0.0 108.757 179.474 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 15' ' ' ASN . 40.9 mt -73.77 -169.18 0.68 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.068 -1.02 . . . . 0.0 109.632 -179.582 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.795 ' HG ' HG22 ' A' ' 90' ' ' ILE . 2.1 mt -71.81 158.14 36.63 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.222 -0.924 . . . . 0.0 109.139 179.769 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.2 16.56 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.259 -0.9 . . . . 0.0 109.157 -179.757 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.408 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 14.1 m-85 -129.8 118.64 22.1 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.419 -0.8 . . . . 0.0 109.381 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.49 -174.31 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.192 -0.943 . . . . 0.0 109.169 179.574 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.82 148.81 26.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.524 -0.735 . . . . 0.0 109.581 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.62 ' OE1' HG11 ' A' ' 42' ' ' VAL . 52.7 tt0 -160.32 113.14 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.178 -0.951 . . . . 0.0 109.474 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.8 -92.63 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -139.07 -0.02 1.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.195 -1.179 . . . . 0.0 109.584 -179.84 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -129.29 133.98 47.73 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.22 -0.925 . . . . 0.0 109.529 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 55.6 m -70.73 137.81 50.0 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.211 -0.93 . . . . 0.0 109.235 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.62 HG11 ' OE1' ' A' ' 37' ' ' GLU . 21.5 m -110.34 179.35 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 121.204 -0.935 . . . . 0.0 109.674 -179.902 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.22 142.69 41.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.396 -0.815 . . . . 0.0 109.29 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.84 65.91 37.07 Favored Pre-proline 0 C--N 1.332 -0.175 0 O-C-N 121.242 -0.911 . . . . 0.0 109.707 -179.753 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -36.49 -31.17 0.1 OUTLIER 'Trans proline' 0 N--CA 1.481 0.756 1 C-N-CA 125.803 4.335 . . . . 0.0 110.407 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -128.72 98.72 24.21 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 121.332 -0.855 . . . . 0.0 109.549 -179.741 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -86.44 169.56 8.26 Favored 'Trans proline' 0 N--CA 1.481 0.737 0 C-N-CA 125.006 3.804 . . . . 0.0 109.964 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.789 HG21 ' HG3' ' A' ' 51' ' ' GLU . 12.5 t -152.53 -142.58 0.12 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.045 -1.035 . . . . 0.0 110.055 -179.605 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.593 ' N ' HG23 ' A' ' 48' ' ' THR . 73.2 m -148.94 -46.17 0.14 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.621 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -68.52 4.68 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.568 -0.708 . . . . 0.0 110.137 -179.534 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.789 ' HG3' HG21 ' A' ' 48' ' ' THR . 80.4 mt-10 -108.74 58.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.049 -1.032 . . . . 0.0 108.757 179.605 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.74 75.95 0.08 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.113 0.483 . . . . 0.0 110.092 -179.425 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.498 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER 63.75 92.14 0.07 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 122.386 1.089 . . . . 0.0 108.866 -179.608 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.472 ' HA3' ' H ' ' A' ' 48' ' ' THR . . . -87.77 24.3 10.99 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 107.928 -2.069 . . . . 0.0 107.928 179.595 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.464 ' O ' HD21 ' A' ' 32' ' ' LEU . . . 127.93 -5.08 6.94 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -178.902 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.498 ' C ' HD22 ' A' ' 53' ' ' ASN . 99.1 m -111.01 132.51 54.16 Favored 'General case' 0 CA--C 1.526 0.057 0 O-C-N 121.232 -1.158 . . . . 0.0 108.909 179.471 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 56' ' ' CYS . 0.0 OUTLIER -28.62 123.49 0.12 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.417 0.627 . . . . 0.0 111.431 -179.261 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.9 -26.91 39.05 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.321 -0.862 . . . . 0.0 109.896 -179.31 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.29 -4.58 51.5 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.276 -0.89 . . . . 0.0 109.223 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.435 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . . . -91.34 -179.32 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.325 -0.859 . . . . 0.0 110.026 -179.777 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -102.66 103.8 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.209 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.7 t -84.73 131.57 34.55 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.476 -0.765 . . . . 0.0 109.305 -179.633 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.87 147.01 46.24 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.123 -0.986 . . . . 0.0 109.834 -179.47 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.06 11.29 8.87 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.343 -0.848 . . . . 0.0 109.403 179.907 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--N 1.33 -0.24 0 O-C-N 121.264 -0.898 . . . . 0.0 109.675 -179.799 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.0 104.94 15.17 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.284 -0.885 . . . . 0.0 109.387 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -145.45 135.79 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 O-C-N 121.372 -0.83 . . . . 0.0 109.404 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.4 145.83 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.214 -0.929 . . . . 0.0 109.664 -179.891 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 m -119.29 119.22 33.38 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.261 -0.899 . . . . 0.0 109.381 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -129.22 108.41 10.32 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 13.3 m -72.41 97.88 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.225 -0.922 . . . . 0.0 109.141 179.796 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 t -62.36 -10.78 12.31 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.234 -0.916 . . . . 0.0 109.494 -179.776 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 171.77 0.28 Allowed Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 121.171 -0.956 . . . . 0.0 109.731 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -92.03 137.07 1.75 Allowed 'Trans proline' 0 N--CA 1.476 0.45 1 C-N-CA 125.615 4.21 . . . . 0.0 109.626 179.505 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.01 12.98 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.061 -1.024 . . . . 0.0 108.878 -179.514 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.2 p -67.66 128.39 36.29 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.497 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 5.6 m-85 -141.99 101.41 5.84 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 121.191 -0.943 . . . . 0.0 109.288 -179.135 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.497 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 23.4 Cg_exo -32.4 116.55 0.08 OUTLIER 'Trans proline' 0 N--CA 1.483 0.887 1 C-N-CA 125.393 4.062 . . . . 0.0 111.212 -179.487 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.52 -48.08 61.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.062 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.727 ' CD1' HD11 ' A' ' 90' ' ' ILE . 62.9 m-85 -103.95 -117.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.544 ' HB3' HD12 ' A' ' 32' ' ' LEU . 25.8 t0 -106.82 32.24 4.71 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.422 -0.799 . . . . 0.0 109.485 179.356 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.75 15.21 13.67 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 119.613 -1.279 . . . . 0.0 110.288 179.5 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.795 HG22 ' HG ' ' A' ' 32' ' ' LEU . 1.4 pt -88.11 -27.49 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 120.847 -1.384 . . . . 0.0 109.125 179.811 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.525 ' CD1' ' CE1' ' A' ' 19' ' ' PHE . 21.7 m-85 -130.19 175.12 9.17 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.678 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.4 m -138.67 124.7 20.05 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.9 -1.125 . . . . 0.0 109.324 179.812 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.41 ' H ' ' H ' ' A' ' 84' ' ' TYR . 5.8 t . . . . . 0 C--N 1.329 -0.284 0 O-C-N 121.235 -0.916 . . . . 0.0 109.436 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.491 HG21 ' NE2' ' A' ' 6' ' ' GLN . 25.7 mm -84.06 134.15 27.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 O-C-N 121.222 -0.923 . . . . 0.0 109.485 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.4 -179.42 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.172 -0.955 . . . . 0.0 109.421 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -80.01 17.38 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.259 -0.901 . . . . 0.0 109.404 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.91 5.79 35.93 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.266 -0.897 . . . . 0.0 109.362 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.491 ' NE2' HG21 ' A' ' 2' ' ' ILE . 11.7 tt0 -60.76 -48.71 80.58 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.257 -0.902 . . . . 0.0 109.291 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 66.03 144.25 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.292 -0.88 . . . . 0.0 109.45 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.3 p -179.79 101.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.163 -0.961 . . . . 0.0 109.517 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 175.08 -41.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.296 -0.878 . . . . 0.0 109.427 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -98.04 -155.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.31 -0.869 . . . . 0.0 109.305 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -143.26 136.0 27.59 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.046 -1.034 . . . . 0.0 109.987 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.9 t -116.31 137.26 23.37 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -86.34 176.51 4.92 Favored 'Trans proline' 0 N--CA 1.484 0.933 0 C-N-CA 124.394 3.396 . . . . 0.0 110.955 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -59.85 169.91 1.3 Allowed 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.328 -0.858 . . . . 0.0 109.28 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.856 ' HA ' HD12 ' A' ' 31' ' ' LEU . 57.5 m-20 54.54 25.39 6.2 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 5.0 m -160.38 147.33 15.83 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.588 -0.695 . . . . 0.0 109.501 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.07 163.82 22.29 Favored Glycine 0 CA--C 1.532 1.142 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.82 162.9 15.26 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.235 -1.156 . . . . 0.0 109.617 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 46.8 t80 -168.02 137.34 2.52 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.229 -0.919 . . . . 0.0 109.537 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.46 110.32 19.66 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.248 -0.907 . . . . 0.0 109.139 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.579 ' CE1' ' HE ' ' A' ' 25' ' ' ARG . 11.4 m-70 -54.35 142.14 27.76 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.319 -0.863 . . . . 0.0 109.584 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.966 ' H ' HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -66.69 -6.97 17.66 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.421 -0.8 . . . . 0.0 109.151 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.97 23.11 6.69 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.3 -0.875 . . . . 0.0 109.421 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 65.58 57.07 0.89 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.197 -0.939 . . . . 0.0 109.636 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.579 ' HE ' ' CE1' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -150.95 128.19 11.25 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.223 -0.923 . . . . 0.0 109.249 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -89.84 127.78 36.05 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.18 -0.95 . . . . 0.0 109.437 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.87 168.34 23.26 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.252 -0.905 . . . . 0.0 109.603 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.3 115.43 22.31 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' NZ ' HD21 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -102.14 143.38 32.02 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 121.286 -0.884 . . . . 0.0 109.63 -179.112 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 2.8 m -60.78 152.38 27.13 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.197 -0.94 . . . . 0.0 109.899 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 15' ' ' ASN . 36.8 mt -59.96 -165.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.542 -0.723 . . . . 0.0 110.053 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.37 162.22 29.57 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.38 -0.825 . . . . 0.0 109.731 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 58.07 15.47 3.23 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.344 -0.847 . . . . 0.0 109.711 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.403 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 20.7 m-85 -124.57 165.07 18.49 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.249 -0.907 . . . . 0.0 109.417 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -150.71 -172.22 4.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -112.07 143.64 42.75 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.521 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -166.81 86.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.255 -0.903 . . . . 0.0 109.53 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.72 -113.66 4.75 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.42 11.69 8.68 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.28 -1.129 . . . . 0.0 109.44 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -146.18 142.62 28.62 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.327 -0.858 . . . . 0.0 109.148 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 77.7 m -73.3 145.23 46.19 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.224 -0.923 . . . . 0.0 109.372 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.464 HG23 ' HG3' ' A' ' 35' ' ' LYS . 35.1 m -121.17 173.55 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 121.194 -0.941 . . . . 0.0 109.819 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.85 148.21 52.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.248 -0.908 . . . . 0.0 109.528 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.93 68.49 25.37 Favored Pre-proline 0 CA--C 1.531 0.218 0 O-C-N 121.34 -0.85 . . . . 0.0 109.816 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -35.52 -33.34 0.1 Allowed 'Trans proline' 0 N--CA 1.482 0.802 1 C-N-CA 125.815 4.343 . . . . 0.0 110.474 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.0 93.01 13.7 Favored Pre-proline 0 CA--C 1.533 0.303 0 O-C-N 121.342 -0.849 . . . . 0.0 109.441 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -90.2 148.19 4.53 Favored 'Trans proline' 0 N--CA 1.477 0.541 1 C-N-CA 125.362 4.042 . . . . 0.0 110.347 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.0 t -134.2 -167.07 1.9 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.239 -0.913 . . . . 0.0 109.45 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -111.66 -26.12 9.17 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -70.38 1.61 4.79 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 121.347 -0.846 . . . . 0.0 108.737 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -99.78 51.24 0.92 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.96 73.08 0.14 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.232 0.539 . . . . 0.0 110.546 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.47 HD21 ' NZ ' ' A' ' 29' ' ' LYS . 6.1 t30 59.68 85.14 0.11 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.809 0.814 . . . . 0.0 109.003 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.79 43.94 2.57 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 108.161 -1.976 . . . . 0.0 108.161 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 128.93 -17.66 5.68 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 108.029 -2.029 . . . . 0.0 108.029 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' ASP . 38.6 m -111.82 110.79 21.33 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.481 -1.011 . . . . 0.0 109.159 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.452 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 31.8 t0 -28.03 136.77 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.401 0.619 . . . . 0.0 111.958 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.93 -32.74 61.52 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.16 -15.78 49.28 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.408 -0.807 . . . . 0.0 108.931 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -91.93 174.46 7.32 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.209 -0.932 . . . . 0.0 109.453 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -99.43 168.59 9.9 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.327 -0.858 . . . . 0.0 109.294 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.2 t -132.8 141.63 48.58 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.251 -0.905 . . . . 0.0 109.237 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.84 140.69 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.165 -0.959 . . . . 0.0 109.551 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.37 -3.11 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.288 -0.883 . . . . 0.0 109.439 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -73.31 66.05 0.9 Allowed 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.375 -0.828 . . . . 0.0 109.419 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -159.5 14.15 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.296 -0.877 . . . . 0.0 109.362 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.44 ' HB3' ' H ' ' A' ' 73' ' ' LYS . 4.9 p -99.91 -167.68 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.282 -0.887 . . . . 0.0 109.634 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.86 40.13 0.02 OUTLIER Glycine 0 CA--C 1.532 1.096 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.48 -167.89 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.226 -1.161 . . . . 0.0 109.502 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.57 -7.78 53.27 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.267 -0.896 . . . . 0.0 109.462 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.31 81.1 0.35 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -61.06 178.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.253 -1.145 . . . . 0.0 109.602 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' H ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -131.03 165.59 22.87 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.289 -0.882 . . . . 0.0 109.128 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -144.85 128.5 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 O-C-N 121.246 -0.908 . . . . 0.0 109.559 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 m -120.46 160.32 23.37 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.351 -0.843 . . . . 0.0 109.394 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 69.7 m -124.21 143.78 50.32 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.268 -0.895 . . . . 0.0 108.935 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -140.27 110.9 6.78 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.05 -1.031 . . . . 0.0 109.934 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -88.88 105.53 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.312 -0.868 . . . . 0.0 109.054 179.465 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 m -72.09 -18.54 61.91 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.272 -0.893 . . . . 0.0 110.029 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -54.57 168.03 0.53 Allowed Pre-proline 0 CA--C 1.533 0.315 0 O-C-N 121.114 -0.991 . . . . 0.0 109.543 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.408 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 11.6 Cg_endo -87.99 -41.59 0.05 OUTLIER 'Trans proline' 0 N--CA 1.479 0.65 0 C-N-CA 125.285 3.99 . . . . 0.0 110.155 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.408 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 1.3 t70 -80.5 17.87 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.221 -0.925 . . . . 0.0 109.015 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.402 ' CB ' ' HB2' ' A' ' 78' ' ' CYS . 53.0 p -55.18 108.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.504 -0.747 . . . . 0.0 109.755 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -143.83 68.78 16.51 Favored Pre-proline 0 C--N 1.329 -0.32 0 O-C-N 121.309 -0.87 . . . . 0.0 108.993 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -31.17 119.27 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.743 1 C-N-CA 126.324 4.682 . . . . 0.0 111.083 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 91' ' ' PHE . 25.0 mt -76.71 -19.91 57.17 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.595 ' CD2' HD11 ' A' ' 90' ' ' ILE . 96.6 m-85 -132.08 -106.65 0.26 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -113.5 23.42 13.19 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.025 -0.67 . . . . 0.0 110.012 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.89 41.61 1.8 Allowed Glycine 0 CA--C 1.531 1.069 0 C-N-CA 119.736 -1.221 . . . . 0.0 110.343 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.595 HD11 ' CD2' ' A' ' 87' ' ' PHE . 2.4 pt -111.82 -21.3 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 121.027 -1.278 . . . . 0.0 109.245 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.631 ' HB2' HD12 ' A' ' 86' ' ' LEU . 33.9 m-85 -137.0 63.79 1.56 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.327 -0.858 . . . . 0.0 109.558 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 18.7 m -61.8 118.87 7.75 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.319 -0.863 . . . . 0.0 109.39 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.23 133.2 49.16 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.199 -0.938 . . . . 0.0 109.375 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 p 176.13 111.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.232 -0.918 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 p -175.34 153.34 1.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.248 -0.908 . . . . 0.0 109.447 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.006 -0.997 . . . . 0.0 109.456 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -176.94 141.63 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 121.296 -0.877 . . . . 0.0 109.381 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -134.21 84.9 2.15 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.19 -0.944 . . . . 0.0 109.514 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -78.13 169.88 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.242 -0.911 . . . . 0.0 109.438 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.415 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 2.3 p-80 -58.03 -39.18 77.74 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.387 -0.82 . . . . 0.0 109.782 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 66.41 137.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.313 -0.867 . . . . 0.0 109.651 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 m -135.13 5.05 3.26 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.131 -0.981 . . . . 0.0 109.486 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.548 HG12 ' N ' ' A' ' 9' ' ' LYS . 14.2 t 57.29 -124.29 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 121.224 -0.923 . . . . 0.0 109.402 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.548 ' N ' HG12 ' A' ' 8' ' ' VAL . 1.8 ttpt -100.24 44.54 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.281 -0.887 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HB3' ' HZ2' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -114.95 120.32 39.51 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.242 -0.911 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -130.11 117.0 19.29 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.212 -0.93 . . . . 0.0 109.592 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -93.21 175.89 2.86 Favored Pre-proline 0 CA--C 1.533 0.293 0 O-C-N 121.335 -0.853 . . . . 0.0 109.231 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 12' ' ' CYS . 11.9 Cg_endo -88.05 172.37 5.33 Favored 'Trans proline' 0 N--CA 1.479 0.621 0 C-N-CA 125.283 3.988 . . . . 0.0 110.576 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -54.4 171.52 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.288 -0.882 . . . . 0.0 109.511 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.853 ' HA ' HD12 ' A' ' 31' ' ' LEU . 11.1 m-80 56.67 18.74 3.84 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.254 -0.903 . . . . 0.0 109.251 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.3 t -163.41 157.45 19.92 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.227 -0.921 . . . . 0.0 109.662 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.73 158.23 27.75 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 109.354 -1.499 . . . . 0.0 109.354 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.8 p -73.08 160.38 32.12 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.143 -1.21 . . . . 0.0 109.201 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.508 ' CE1' ' CD2' ' A' ' 21' ' ' HIS . 19.5 t80 -157.38 104.97 2.05 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.14 -0.975 . . . . 0.0 109.625 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -83.11 -115.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.371 -0.831 . . . . 0.0 109.114 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.508 ' CD2' ' CE1' ' A' ' 19' ' ' PHE . 20.4 m-70 59.59 -157.14 0.33 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.835 HD12 ' HB3' ' A' ' 25' ' ' ARG . 5.6 mt 60.12 15.33 5.1 Favored 'General case' 0 C--O 1.225 -0.216 0 O-C-N 121.159 -0.963 . . . . 0.0 109.179 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 76.4 -42.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -161.45 8.98 0.08 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 121.107 -0.996 . . . . 0.0 110.692 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.835 ' HB3' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -96.51 103.96 15.91 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 120.719 -1.238 . . . . 0.0 109.571 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -115.24 138.05 51.36 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.339 -0.851 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -163.64 164.87 23.86 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.239 -0.913 . . . . 0.0 109.471 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.9 m -95.0 107.56 19.61 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.254 -0.904 . . . . 0.0 109.33 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' HZ1' ' HA2' ' A' ' 55' ' ' GLY . 18.6 tttt -104.69 143.28 33.31 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.251 -0.906 . . . . 0.0 109.104 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.0 m -60.99 162.09 7.5 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.131 -0.981 . . . . 0.0 109.546 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 15' ' ' ASN . 44.8 mt -69.52 -167.61 0.14 Allowed 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.153 -0.967 . . . . 0.0 109.737 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HG ' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -71.64 156.07 39.8 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.358 -0.839 . . . . 0.0 109.422 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 57.89 17.09 4.04 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.413 -0.804 . . . . 0.0 109.42 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.42 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 17.2 m-85 -127.63 121.63 30.98 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.453 -0.779 . . . . 0.0 109.231 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.432 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -100.66 -177.67 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.273 -0.892 . . . . 0.0 109.131 179.62 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -126.94 129.55 48.38 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.402 -0.811 . . . . 0.0 109.449 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -146.63 97.28 2.89 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.258 -0.901 . . . . 0.0 109.343 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.05 -99.8 2.41 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.76 4.03 2.09 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.258 -1.143 . . . . 0.0 109.415 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.5 mtmm -133.43 129.67 37.61 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.334 -0.854 . . . . 0.0 109.363 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 82.1 m -76.57 145.49 38.95 Favored 'General case' 0 C--N 1.33 -0.283 0 O-C-N 121.243 -0.911 . . . . 0.0 109.424 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.432 HG22 ' HG3' ' A' ' 35' ' ' LYS . 24.0 m -121.46 -179.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 121.273 -0.892 . . . . 0.0 109.397 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.21 137.25 42.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.199 -0.938 . . . . 0.0 109.344 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -124.58 67.37 48.9 Favored Pre-proline 0 C--N 1.331 -0.234 0 O-C-N 121.252 -0.905 . . . . 0.0 109.671 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -35.32 -32.75 0.09 OUTLIER 'Trans proline' 0 N--CA 1.482 0.833 1 C-N-CA 125.891 4.394 . . . . 0.0 110.37 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -120.59 95.98 48.95 Favored Pre-proline 0 CA--C 1.535 0.379 0 O-C-N 121.339 -0.85 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -84.83 174.95 7.12 Favored 'Trans proline' 0 N--CA 1.48 0.693 0 C-N-CA 125.013 3.809 . . . . 0.0 110.334 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.868 HG21 ' CG ' ' A' ' 51' ' ' GLU . 12.9 t -140.0 -159.2 0.93 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.19 -0.944 . . . . 0.0 109.963 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.447 ' N ' HG23 ' A' ' 48' ' ' THR . 38.5 m -145.35 -38.81 0.25 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -69.33 3.18 2.39 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.484 -0.76 . . . . 0.0 109.706 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.868 ' CG ' HG21 ' A' ' 48' ' ' THR . 79.3 mm-40 -105.45 60.68 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.149 -0.969 . . . . 0.0 108.943 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.07 72.15 0.16 Allowed 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 121.001 0.429 . . . . 0.0 110.873 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 22.2 t-20 58.69 80.98 0.17 Allowed 'General case' 0 N--CA 1.463 0.197 0 O-C-N 121.408 -0.808 . . . . 0.0 109.631 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.99 92.6 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 107.745 -2.142 . . . . 0.0 107.745 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' H ' ' H ' ' A' ' 56' ' ' CYS . . . -160.45 -4.74 0.05 OUTLIER Glycine 0 CA--C 1.523 0.545 0 N-CA-C 107.404 -2.279 . . . . 0.0 107.404 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.446 ' H ' ' H ' ' A' ' 55' ' ' GLY . 73.6 m -111.61 120.6 42.63 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.728 -0.866 . . . . 0.0 109.09 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.444 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -26.25 131.21 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.434 0.635 . . . . 0.0 111.877 -179.209 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.95 -30.26 58.48 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.298 -0.876 . . . . 0.0 109.256 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -89.39 -6.79 56.28 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.379 -0.826 . . . . 0.0 109.223 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.3 160.05 14.63 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.285 -0.884 . . . . 0.0 109.735 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.66 165.34 24.38 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.392 -0.817 . . . . 0.0 109.133 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.1 t -140.16 134.86 31.81 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.247 -0.908 . . . . 0.0 109.533 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p -124.34 139.17 54.16 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.19 -0.944 . . . . 0.0 109.493 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.18 17.79 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.352 -0.842 . . . . 0.0 109.652 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.451 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 35.6 mt-10 -53.5 141.53 24.93 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.342 -0.849 . . . . 0.0 109.706 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -55.07 -34.62 63.75 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.302 -0.873 . . . . 0.0 109.561 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 m 58.71 -94.74 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.255 -0.903 . . . . 0.0 109.47 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.31 88.49 0.07 OUTLIER Glycine 0 CA--C 1.529 0.941 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 m -143.67 -94.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.258 -1.143 . . . . 0.0 109.439 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -136.89 -48.88 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.19 -0.944 . . . . 0.0 109.448 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -133.12 -116.94 1.77 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.24 137.83 43.5 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.183 -1.187 . . . . 0.0 109.34 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -119.71 114.18 21.78 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.178 -0.951 . . . . 0.0 109.534 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -101.59 141.41 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 121.335 -0.853 . . . . 0.0 109.154 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.04 156.72 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.093 -1.005 . . . . 0.0 109.726 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 m -123.49 143.04 50.42 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.386 -0.821 . . . . 0.0 109.224 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -146.39 96.82 2.84 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.166 -0.959 . . . . 0.0 109.458 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.6 m -73.31 128.88 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.31 -0.869 . . . . 0.0 109.455 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 79' ' ' THR . 14.1 t -93.14 36.17 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.317 -0.864 . . . . 0.0 109.348 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -111.21 168.29 7.81 Favored Pre-proline 0 CA--C 1.532 0.285 0 O-C-N 121.224 -0.922 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -85.91 -35.44 0.14 Allowed 'Trans proline' 0 N--CA 1.478 0.569 0 C-N-CA 125.085 3.857 . . . . 0.0 109.895 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -89.92 20.37 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.36 -0.837 . . . . 0.0 108.907 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.8 t -53.31 102.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.546 -0.722 . . . . 0.0 109.605 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -139.36 74.97 34.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 O-C-N 121.312 -0.868 . . . . 0.0 109.077 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -31.4 113.36 0.05 OUTLIER 'Trans proline' 0 N--CA 1.481 0.76 1 C-N-CA 126.071 4.514 . . . . 0.0 111.026 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.595 HD12 ' HB2' ' A' ' 91' ' ' PHE . 72.0 mt -68.32 -10.43 54.76 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -153.39 -109.18 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -104.2 19.64 19.79 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 121.618 -0.676 . . . . 0.0 110.053 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.25 21.29 7.4 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 119.484 -1.341 . . . . 0.0 110.349 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.782 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.4 pt -89.09 -29.57 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 O-C-N 121.043 -1.269 . . . . 0.0 109.004 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.782 ' CE2' HD12 ' A' ' 90' ' ' ILE . 13.2 m-85 -136.21 101.78 4.8 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.338 -0.851 . . . . 0.0 109.225 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.1 80.72 7.58 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.056 -1.028 . . . . 0.0 109.616 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.458 ' OG ' HD11 ' A' ' 86' ' ' LEU . 50.8 p -114.69 -92.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.312 -0.867 . . . . 0.0 109.27 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.0 m -148.5 169.22 20.75 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.266 -0.896 . . . . 0.0 109.345 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.7 m -106.95 -97.7 0.36 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.272 -0.893 . . . . 0.0 109.421 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.434 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.6 p30 . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.601 ' H ' HD13 ' A' ' 2' ' ' ILE . 0.1 OUTLIER -92.83 -148.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 O-C-N 121.255 -0.903 . . . . 0.0 109.424 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p 175.31 16.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.25 -0.906 . . . . 0.0 109.474 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.556 ' HB2' ' H ' ' A' ' 94' ' ' SER . 29.4 mt-30 -144.11 147.83 34.28 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.296 -0.878 . . . . 0.0 109.587 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.408 ' CE1' ' O ' ' A' ' 18' ' ' CYS . 18.5 t60 55.96 93.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.336 -0.853 . . . . 0.0 109.577 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -140.76 54.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.309 -0.869 . . . . 0.0 109.364 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 p -57.87 155.48 10.41 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.156 -0.965 . . . . 0.0 109.356 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.731 HG12 ' H ' ' A' ' 9' ' ' LYS . 1.9 t -58.35 -175.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 O-C-N 121.292 -0.88 . . . . 0.0 109.676 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.731 ' H ' HG12 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -74.32 50.95 0.42 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.315 -0.866 . . . . 0.0 109.563 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -55.28 -37.98 68.02 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.291 -0.88 . . . . 0.0 109.306 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 55.88 90.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.285 -0.884 . . . . 0.0 109.459 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.75 172.93 5.82 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 121.153 -0.967 . . . . 0.0 109.013 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -87.66 169.54 6.78 Favored 'Trans proline' 0 N--CA 1.479 0.623 1 C-N-CA 125.381 4.054 . . . . 0.0 110.595 -179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.1 168.03 0.25 Allowed 'General case' 0 C--N 1.332 -0.158 0 O-C-N 121.328 -0.858 . . . . 0.0 109.425 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.899 ' HA ' HD12 ' A' ' 31' ' ' LEU . 31.8 m-20 55.34 30.02 14.06 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 121.213 -0.93 . . . . 0.0 109.128 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -164.96 123.85 1.76 Allowed 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.297 -0.877 . . . . 0.0 109.907 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -104.45 -160.75 24.17 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 109.224 -1.551 . . . . 0.0 109.224 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.408 ' O ' ' CE1' ' A' ' 5' ' ' HIS . 7.3 t -122.2 141.49 51.41 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.121 -1.223 . . . . 0.0 109.661 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CE1' ' CD2' ' A' ' 21' ' ' HIS . 4.4 t80 -150.02 145.32 26.34 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.517 ' H ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -155.82 80.09 1.01 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.341 -0.849 . . . . 0.0 108.766 -179.241 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.517 ' CD2' ' H ' ' A' ' 20' ' ' ARG . 55.5 m-70 -149.07 -32.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.051 -1.031 . . . . 0.0 110.64 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 22' ' ' LEU . 9.0 mp -53.51 -22.91 8.98 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.249 -0.907 . . . . 0.0 110.128 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.37 19.37 1.54 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 60.43 16.22 6.17 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.0 45.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.509 ' CB ' ' HA ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -68.55 -130.1 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.753 -0.592 . . . . 0.0 110.169 -179.154 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -174.99 -168.26 0.33 Allowed 'General case' 0 C--O 1.233 0.187 0 O-C-N 120.666 -1.271 . . . . 0.0 109.671 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.6 m -69.65 132.12 45.67 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.515 -0.74 . . . . 0.0 109.351 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.03 138.78 54.4 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.213 -0.93 . . . . 0.0 108.798 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.8 m -54.49 159.18 2.17 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.045 -1.035 . . . . 0.0 109.521 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.899 HD12 ' HA ' ' A' ' 15' ' ' ASN . 34.6 mt -69.54 -167.36 0.13 Allowed 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.241 -0.912 . . . . 0.0 110.166 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 157.44 38.08 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 121.464 -0.773 . . . . 0.0 109.654 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 57.71 16.26 3.39 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.265 -0.897 . . . . 0.0 109.475 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.448 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 13.6 m-85 -127.57 115.92 19.55 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.394 -0.816 . . . . 0.0 109.792 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' H ' ' HG2' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -104.09 177.69 4.77 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.157 -0.965 . . . . 0.0 108.8 179.318 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -98.82 144.8 27.64 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.146 -0.971 . . . . 0.0 109.434 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -150.2 76.84 1.29 Allowed 'General case' 0 C--N 1.332 -0.182 0 O-C-N 121.168 -0.957 . . . . 0.0 109.613 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.31 -80.26 1.18 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.2 -10.53 0.43 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.212 -1.17 . . . . 0.0 109.572 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -118.9 130.51 55.77 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.257 -0.902 . . . . 0.0 109.173 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.6 m -73.03 125.79 28.47 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.057 -1.027 . . . . 0.0 109.493 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.453 HG22 ' HG3' ' A' ' 35' ' ' LYS . 2.5 m -101.96 -178.79 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 121.287 -0.883 . . . . 0.0 109.718 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -79.42 138.41 37.61 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.601 -0.687 . . . . 0.0 109.504 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -123.81 66.45 38.3 Favored Pre-proline 0 C--N 1.332 -0.189 0 O-C-N 121.198 -0.939 . . . . 0.0 109.589 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -34.61 -32.89 0.07 OUTLIER 'Trans proline' 0 N--CA 1.482 0.814 1 C-N-CA 126.005 4.47 . . . . 0.0 110.738 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.96 90.78 50.36 Favored Pre-proline 0 CA--C 1.533 0.317 0 O-C-N 121.252 -0.905 . . . . 0.0 109.739 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -91.47 158.54 3.64 Favored 'Trans proline' 0 N--CA 1.477 0.543 1 C-N-CA 125.393 4.062 . . . . 0.0 110.393 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.418 HG23 ' HG2' ' A' ' 51' ' ' GLU . 6.7 t -133.42 -164.33 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.17 -0.956 . . . . 0.0 109.573 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.404 ' N ' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -123.86 -24.45 4.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -69.94 1.0 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.418 ' HG2' HG23 ' A' ' 48' ' ' THR . 14.3 pt-20 -98.51 50.07 0.99 Allowed 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 42.41 72.34 0.18 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.384 0.611 . . . . 0.0 109.7 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.502 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.1 OUTLIER 64.52 91.09 0.08 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 122.837 1.303 . . . . 0.0 108.35 -179.197 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -105.23 38.35 3.34 Favored Glycine 0 CA--C 1.518 0.245 0 N-CA-C 107.624 -2.19 . . . . 0.0 107.624 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 133.12 -19.62 4.33 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 107.432 -2.267 . . . . 0.0 107.432 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.502 ' C ' HD22 ' A' ' 53' ' ' ASN . 56.6 m -112.5 128.42 56.33 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.459 -1.024 . . . . 0.0 108.7 178.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -45.9 140.21 3.78 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.309 0.576 . . . . 0.0 110.354 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.0 -32.52 47.03 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.618 -0.676 . . . . 0.0 109.264 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.4 -16.05 36.03 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.318 -0.864 . . . . 0.0 109.198 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.19 162.34 18.38 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.265 -0.897 . . . . 0.0 109.358 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -89.95 153.95 20.22 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.301 -0.874 . . . . 0.0 109.039 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 36.9 t -124.42 132.0 53.51 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.18 -0.95 . . . . 0.0 109.445 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -116.68 139.66 50.29 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.239 -0.913 . . . . 0.0 109.362 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.37 19.49 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.224 -0.923 . . . . 0.0 109.669 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -53.37 118.76 4.08 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.376 -0.828 . . . . 0.0 109.661 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -55.47 164.76 0.93 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.247 -0.908 . . . . 0.0 109.658 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.88 -0.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.298 -0.876 . . . . 0.0 109.414 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.9 114.08 0.51 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.1 m -55.06 160.53 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.221 -1.164 . . . . 0.0 109.422 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.6 t30 58.14 64.56 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.265 -0.897 . . . . 0.0 109.43 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 141.38 109.44 0.77 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.41 148.48 22.77 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.251 -1.147 . . . . 0.0 109.412 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -112.27 130.86 55.79 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.293 -0.879 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.77 124.99 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 O-C-N 121.274 -0.892 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.68 163.6 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.23 -0.919 . . . . 0.0 109.525 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -135.97 114.31 11.62 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.219 -0.926 . . . . 0.0 109.452 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -112.04 98.77 7.57 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.216 -0.927 . . . . 0.0 109.224 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 34.6 m -59.77 153.47 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.21 -0.932 . . . . 0.0 109.702 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 t -104.75 10.22 34.7 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.349 -0.845 . . . . 0.0 109.111 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -71.06 154.55 94.05 Favored Pre-proline 0 C--N 1.33 -0.247 0 O-C-N 121.318 -0.864 . . . . 0.0 108.99 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -37.35 -92.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.482 0.844 0 C-N-CA 125.275 3.984 . . . . 0.0 110.004 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -90.93 -2.93 57.67 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 120.759 -1.213 . . . . 0.0 107.776 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.401 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.0 OUTLIER 61.34 156.73 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.331 0.586 . . . . 0.0 109.673 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 83' ' ' SER . 67.0 m-85 -152.8 59.44 2.86 Favored Pre-proline 0 C--N 1.33 -0.273 0 O-C-N 120.863 -1.148 . . . . 0.0 109.757 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -36.85 110.94 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.761 1 C-N-CA 125.783 4.322 . . . . 0.0 110.482 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.78 HD12 ' CB ' ' A' ' 91' ' ' PHE . 22.9 mt -76.59 -6.54 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -153.7 -108.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -112.48 18.13 18.7 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.544 -0.723 . . . . 0.0 109.772 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.52 -18.08 8.8 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 119.638 -1.267 . . . . 0.0 110.206 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.406 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 1.0 OUTLIER -55.14 -37.13 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 121.11 -1.23 . . . . 0.0 109.429 -179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.78 ' CB ' HD12 ' A' ' 86' ' ' LEU . 13.5 m-85 -130.84 123.77 29.8 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.134 -0.979 . . . . 0.0 109.089 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.07 94.56 4.87 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.147 -0.97 . . . . 0.0 109.469 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.608 ' O ' HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -170.97 -168.0 0.61 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.266 -0.896 . . . . 0.0 109.422 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.556 ' H ' ' HB2' ' A' ' 4' ' ' GLN . 1.4 m 55.1 -167.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.25 -0.906 . . . . 0.0 109.525 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 96.4 p -139.6 157.69 45.37 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.246 -0.909 . . . . 0.0 109.358 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.397 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.5 m120 . . . . . 0 CA--C 1.53 0.205 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.5 mm -73.52 76.93 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 121.312 -0.868 . . . . 0.0 109.376 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 p -134.14 -7.45 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.223 -0.923 . . . . 0.0 109.431 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -66.06 -95.29 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.27 -0.894 . . . . 0.0 109.401 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.404 ' CE1' HD21 ' A' ' 86' ' ' LEU . 28.8 p-80 -71.45 -4.13 24.86 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.261 -0.899 . . . . 0.0 109.414 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.49 92.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.21 -0.931 . . . . 0.0 109.399 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.2 m -54.54 143.03 25.57 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.279 -0.888 . . . . 0.0 109.271 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.674 HG23 ' OE2' ' A' ' 26' ' ' GLU . 39.0 t -59.44 -74.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 121.133 -0.98 . . . . 0.0 109.499 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -138.31 54.26 1.78 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.163 -0.961 . . . . 0.0 109.692 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HZ2' ' HB2' ' A' ' 18' ' ' CYS . 1.7 mmmp? -91.78 147.32 23.07 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.194 -0.941 . . . . 0.0 109.234 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -144.42 69.44 1.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.133 -0.979 . . . . 0.0 109.721 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.7 m -69.28 173.69 3.61 Favored Pre-proline 0 CA--C 1.532 0.274 0 O-C-N 121.205 -0.934 . . . . 0.0 109.05 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -88.18 169.88 6.07 Favored 'Trans proline' 0 N--CA 1.478 0.571 1 C-N-CA 125.335 4.024 . . . . 0.0 110.619 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -53.97 173.25 0.07 Allowed 'General case' 0 C--N 1.332 -0.169 0 O-C-N 121.358 -0.839 . . . . 0.0 109.616 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.779 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER 54.88 31.42 15.74 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.322 -0.861 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.66 139.75 3.14 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.26 -0.9 . . . . 0.0 109.501 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.23 166.65 14.81 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.48 ' HB2' ' HZ2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -88.07 154.87 20.13 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.275 -1.132 . . . . 0.0 109.539 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.494 ' HE2' HD11 ' A' ' 22' ' ' LEU . 5.1 t80 -160.01 108.14 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.254 -0.904 . . . . 0.0 109.403 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.418 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 31.0 ttp85 -107.76 78.84 1.22 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.377 -0.827 . . . . 0.0 109.379 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.498 ' O ' HD12 ' A' ' 22' ' ' LEU . 85.9 m-70 -154.9 164.89 38.21 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.362 -0.836 . . . . 0.0 109.984 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 21' ' ' HIS . 0.6 OUTLIER 71.05 -40.94 0.49 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.77 -0.581 . . . . 0.0 110.443 179.504 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.5 p30 -109.55 7.63 24.75 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.053 -1.03 . . . . 0.0 109.543 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 55.21 21.14 3.81 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.276 -0.89 . . . . 0.0 109.127 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -143.39 151.26 40.2 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.347 -0.846 . . . . 0.0 109.26 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.674 ' OE2' HG23 ' A' ' 8' ' ' VAL . 12.5 mt-10 -78.2 141.32 38.72 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.276 -0.89 . . . . 0.0 109.716 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -139.05 162.81 34.02 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.371 -0.831 . . . . 0.0 109.208 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.6 m -109.72 95.42 5.59 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.136 -0.978 . . . . 0.0 109.64 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 8.6 tttt -87.15 168.81 12.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.464 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.3 m -90.14 166.46 13.38 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.857 -1.152 . . . . 0.0 109.22 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 15' ' ' ASN . 12.5 mt -74.98 -164.87 0.33 Allowed 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.151 -0.968 . . . . 0.0 110.169 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.18 153.64 42.33 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.262 -0.898 . . . . 0.0 109.728 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 56.95 18.65 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.298 -0.876 . . . . 0.0 109.348 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.42 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 18.9 m-85 -125.93 120.06 29.4 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.316 -0.865 . . . . 0.0 109.245 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.459 ' H ' ' HG2' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -104.06 -178.9 3.79 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.179 -0.951 . . . . 0.0 108.997 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -112.49 126.27 55.14 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.369 -0.832 . . . . 0.0 109.287 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.22 130.91 24.12 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.191 -0.943 . . . . 0.0 109.501 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.18 -101.84 0.6 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -135.77 4.16 3.03 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.213 -1.169 . . . . 0.0 109.411 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -135.82 147.57 48.34 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.236 -0.915 . . . . 0.0 109.171 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 77.6 m -79.12 143.1 35.82 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.137 -0.977 . . . . 0.0 109.368 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.457 HG22 ' HG3' ' A' ' 35' ' ' LYS . 3.2 m -121.32 -179.32 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 O-C-N 121.207 -0.933 . . . . 0.0 109.596 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.14 138.44 40.73 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.538 -0.726 . . . . 0.0 109.39 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -130.39 67.07 79.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 O-C-N 121.269 -0.894 . . . . 0.0 109.67 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -35.88 -32.04 0.09 OUTLIER 'Trans proline' 0 N--CA 1.483 0.866 1 C-N-CA 125.848 4.366 . . . . 0.0 110.359 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.97 95.85 49.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 O-C-N 121.279 -0.888 . . . . 0.0 109.474 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -84.19 179.02 4.84 Favored 'Trans proline' 0 N--CA 1.481 0.765 0 C-N-CA 124.938 3.759 . . . . 0.0 110.261 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.843 HG21 ' CG ' ' A' ' 51' ' ' GLU . 15.4 t -149.49 -160.73 1.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.272 -0.892 . . . . 0.0 109.815 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 m -141.57 -38.79 0.39 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.431 -0.793 . . . . 0.0 108.92 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -69.12 3.83 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.545 -0.722 . . . . 0.0 109.647 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.843 ' CG ' HG21 ' A' ' 48' ' ' THR . 71.0 mm-40 -108.19 59.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.203 -0.935 . . . . 0.0 108.913 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 40.02 73.89 0.11 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.009 0.433 . . . . 0.0 111.014 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 17.9 t-20 58.95 82.51 0.14 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.454 -0.779 . . . . 0.0 109.394 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.7 -37.55 76.69 Favored Glycine 0 CA--C 1.52 0.357 0 N-CA-C 107.651 -2.18 . . . . 0.0 107.651 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.62 ' O ' HG22 ' A' ' 90' ' ' ILE . . . -157.18 -4.38 0.08 OUTLIER Glycine 0 CA--C 1.522 0.51 0 N-CA-C 107.284 -2.326 . . . . 0.0 107.284 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASP . 60.7 m -111.83 124.73 52.97 Favored 'General case' 0 N--CA 1.464 0.261 0 O-C-N 121.656 -0.908 . . . . 0.0 109.171 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 19.1 t0 -32.7 135.65 0.09 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.497 0.665 . . . . 0.0 111.516 -179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.12 -23.72 8.74 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.55 -0.719 . . . . 0.0 109.338 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -97.98 -15.64 20.01 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.397 -0.814 . . . . 0.0 109.302 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -85.34 162.33 19.12 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.169 -0.957 . . . . 0.0 109.684 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -83.38 164.53 19.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.372 -0.83 . . . . 0.0 109.122 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.5 t -135.83 133.26 37.63 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.224 -0.922 . . . . 0.0 109.694 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -122.49 138.7 54.47 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.249 -0.907 . . . . 0.0 109.276 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.58 19.33 2.53 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.418 -0.801 . . . . 0.0 109.623 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -53.27 137.26 35.18 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.457 -0.777 . . . . 0.0 109.701 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.54 163.78 0.85 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.265 -0.897 . . . . 0.0 109.531 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -169.45 -6.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.326 -0.858 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -136.82 -99.99 0.55 Allowed Glycine 0 CA--C 1.529 0.937 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 p -170.14 -89.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.248 -1.148 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -87.49 36.2 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.248 -0.908 . . . . 0.0 109.435 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -164.14 97.86 0.15 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.41 149.47 40.45 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.171 -1.193 . . . . 0.0 109.506 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.13 130.27 55.68 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.302 -0.874 . . . . 0.0 109.461 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.7 mm -111.63 111.18 35.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 121.3 -0.875 . . . . 0.0 109.384 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.27 137.91 48.41 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.196 -0.94 . . . . 0.0 109.374 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.0 m -104.45 155.86 18.44 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.217 -0.927 . . . . 0.0 109.414 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -156.69 101.15 1.97 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.288 -0.882 . . . . 0.0 109.487 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.3 m -60.24 97.19 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.185 -0.947 . . . . 0.0 108.758 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 79' ' ' THR . 12.8 t -73.54 46.66 0.21 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.264 -0.897 . . . . 0.0 110.049 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -138.76 167.79 18.13 Favored Pre-proline 0 C--N 1.329 -0.321 0 O-C-N 121.102 -0.999 . . . . 0.0 109.446 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 16.5 Cg_endo -89.29 -45.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.571 1 C-N-CA 125.344 4.029 . . . . 0.0 110.037 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.436 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . 50.5 m-20 -82.82 25.71 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.379 -0.825 . . . . 0.0 109.147 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.45 113.07 25.22 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.521 -0.737 . . . . 0.0 109.356 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.451 ' H ' ' H ' ' A' ' 93' ' ' SER . 0.5 OUTLIER -120.93 77.19 30.43 Favored Pre-proline 0 C--N 1.33 -0.265 0 O-C-N 121.2 -0.937 . . . . 0.0 109.572 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -32.58 110.03 0.04 OUTLIER 'Trans proline' 0 N--CA 1.482 0.822 1 C-N-CA 125.824 4.349 . . . . 0.0 110.878 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.404 HD21 ' CE1' ' A' ' 5' ' ' HIS . 31.0 mt -71.6 -33.12 68.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -117.26 -106.27 0.39 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.94 17.56 20.38 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.802 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.04 1.77 22.26 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 119.679 -1.248 . . . . 0.0 110.398 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.854 HD12 ' CE2' ' A' ' 91' ' ' PHE . 3.0 pt -68.51 -26.24 32.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 120.894 -1.357 . . . . 0.0 109.253 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.854 ' CE2' HD12 ' A' ' 90' ' ' ILE . 29.4 m-85 -140.4 96.26 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.245 -0.909 . . . . 0.0 109.751 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.69 133.68 47.32 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.206 -0.934 . . . . 0.0 108.906 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.451 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -53.88 171.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.349 -0.844 . . . . 0.0 109.511 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.91 174.58 14.92 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.299 -0.876 . . . . 0.0 109.488 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.78 -70.1 0.54 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.244 -0.91 . . . . 0.0 109.466 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.497 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.51 ' O ' HG22 ' A' ' 2' ' ' ILE . 30.3 mm 55.59 31.09 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 O-C-N 121.349 -0.844 . . . . 0.0 109.435 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.49 3.66 54.85 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.293 -0.879 . . . . 0.0 109.372 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -117.81 129.33 55.61 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.22 -0.925 . . . . 0.0 109.437 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 56.84 46.6 19.5 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.161 -0.962 . . . . 0.0 109.405 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -28.56 46.13 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.48 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 63.98 107.01 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.21 -0.931 . . . . 0.0 109.343 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.1 m -66.25 -174.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.26 -0.9 . . . . 0.0 109.653 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 68.42 1.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.31 -0.869 . . . . 0.0 109.308 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.16 -159.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.255 -0.903 . . . . 0.0 109.671 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -101.13 152.49 20.57 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.365 -0.835 . . . . 0.0 109.367 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 12.3 t -165.0 139.0 4.01 Favored Pre-proline 0 CA--C 1.538 0.506 0 O-C-N 121.296 -0.877 . . . . 0.0 108.955 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 24.2 Cg_endo -87.77 -177.92 2.12 Favored 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 124.552 3.502 . . . . 0.0 110.655 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -73.4 176.17 6.28 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.386 -0.821 . . . . 0.0 109.253 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.884 ' HA ' HD12 ' A' ' 31' ' ' LEU . 3.8 m120 57.13 21.15 6.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.137 -0.977 . . . . 0.0 108.713 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.78 140.57 18.13 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.314 -0.866 . . . . 0.0 109.626 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.06 -129.43 5.08 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.528 ' HA ' ' H ' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -167.81 144.55 4.19 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 120.945 -1.327 . . . . 0.0 110.011 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CG ' ' N ' ' A' ' 20' ' ' ARG . 42.3 t80 -156.82 -177.75 6.85 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.448 ' N ' ' CG ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -129.99 102.94 6.49 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.189 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.578 ' H ' ' CB ' ' A' ' 26' ' ' GLU . 1.2 m170 -49.34 162.64 0.13 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.478 0.656 . . . . 0.0 109.519 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.038 HD21 ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -62.44 -8.08 5.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.701 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -81.07 9.68 6.32 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 74.73 30.74 0.98 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER 175.09 128.72 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 O-C-N 120.946 -1.096 . . . . 0.0 110.488 179.353 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.578 ' CB ' ' H ' ' A' ' 21' ' ' HIS . 1.9 tp10 -139.78 -36.42 0.51 Allowed 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.034 -1.041 . . . . 0.0 108.833 178.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 71.58 -167.61 0.14 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.965 0.888 . . . . 0.0 110.803 179.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -52.43 107.88 0.25 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.571 0.7 . . . . 0.0 109.756 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.528 ' H ' ' HA ' ' A' ' 18' ' ' CYS . 1.7 tmtt? -97.29 -179.38 4.48 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.451 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 46.0 m -92.05 172.66 8.29 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 121.037 -1.039 . . . . 0.0 109.449 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 15' ' ' ASN . 12.7 mt -91.01 -167.82 1.91 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.291 -0.881 . . . . 0.0 109.675 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.452 ' HG ' HG23 ' A' ' 90' ' ' ILE . 1.1 mt -69.03 148.6 49.85 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 121.282 -0.886 . . . . 0.0 109.265 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 58.82 16.14 4.3 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.224 -0.922 . . . . 0.0 109.557 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.447 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 14.4 m-85 -124.21 114.07 19.14 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.275 -0.891 . . . . 0.0 109.527 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HG3' HG23 ' A' ' 42' ' ' VAL . 3.4 ptmt -98.16 -170.95 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.288 -0.883 . . . . 0.0 109.151 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.76 155.45 19.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.566 -0.709 . . . . 0.0 109.498 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.486 ' OE1' HG11 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -166.2 71.74 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.273 -0.892 . . . . 0.0 109.42 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.77 -104.4 2.91 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -125.43 5.03 7.65 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.321 -1.105 . . . . 0.0 109.417 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.24 135.96 37.68 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.254 -0.904 . . . . 0.0 109.325 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.8 m -73.47 141.42 46.83 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.145 -0.972 . . . . 0.0 109.435 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.507 HG23 ' HG3' ' A' ' 35' ' ' LYS . 32.0 m -113.07 178.17 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 O-C-N 121.226 -0.921 . . . . 0.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.33 124.72 27.96 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.152 -0.967 . . . . 0.0 109.45 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.416 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.9 t-20 -84.93 114.15 54.06 Favored Pre-proline 0 CA--C 1.536 0.406 0 O-C-N 121.289 -0.882 . . . . 0.0 109.396 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 12.7 Cg_endo -89.45 -15.61 2.27 Favored 'Trans proline' 0 N--CA 1.478 0.585 0 C-N-CA 124.83 3.687 . . . . 0.0 110.236 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -144.02 76.38 15.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 O-C-N 121.226 -0.921 . . . . 0.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -90.96 131.93 1.53 Allowed 'Trans proline' 0 N--CA 1.477 0.505 1 C-N-CA 125.628 4.219 . . . . 0.0 110.359 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 49' ' ' CYS . 9.8 t -130.51 -129.5 0.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.19 -0.943 . . . . 0.0 109.738 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.617 ' N ' HG23 ' A' ' 48' ' ' THR . 3.9 m -140.59 -36.71 0.47 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -70.15 1.49 4.67 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.594 ' HG3' HG22 ' A' ' 48' ' ' THR . 28.6 mm-40 -97.37 52.6 1.12 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 41.71 71.58 0.2 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.265 0.555 . . . . 0.0 109.637 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.516 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.1 OUTLIER 65.5 92.46 0.07 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 122.867 1.318 . . . . 0.0 108.411 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.93 36.47 3.95 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 107.776 -2.13 . . . . 0.0 107.776 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 127.94 -12.47 6.49 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 107.964 -2.054 . . . . 0.0 107.964 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.516 ' C ' HD22 ' A' ' 53' ' ' ASN . 76.0 m -111.62 132.72 54.37 Favored 'General case' 0 N--CA 1.462 0.164 0 O-C-N 121.411 -1.052 . . . . 0.0 108.629 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.425 ' CG ' ' H ' ' A' ' 92' ' ' CYS . 25.1 t0 -46.27 142.48 2.89 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.36 0.6 . . . . 0.0 110.349 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.038 ' HB1' HD21 ' A' ' 22' ' ' LEU . . . -51.86 -29.84 21.32 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.716 -0.615 . . . . 0.0 109.756 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -96.77 -7.12 34.57 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.2 -0.937 . . . . 0.0 109.527 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . . . -91.94 157.34 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.14 -0.975 . . . . 0.0 109.717 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -78.0 161.5 27.44 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.299 -0.875 . . . . 0.0 108.886 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.0 t -135.4 144.87 46.8 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.117 -0.989 . . . . 0.0 109.808 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.49 143.53 30.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.298 -0.876 . . . . 0.0 109.157 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.35 15.34 4.55 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.292 -0.88 . . . . 0.0 109.338 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 69.2 mt-10 -53.71 171.88 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.402 -0.811 . . . . 0.0 109.664 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -54.55 131.1 42.18 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.291 -0.88 . . . . 0.0 109.535 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -149.87 -4.43 0.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.25 -0.906 . . . . 0.0 109.381 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 157.06 8.22 0.06 OUTLIER Glycine 0 CA--C 1.528 0.886 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.7 m -162.28 -144.28 0.09 Allowed 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.182 -1.187 . . . . 0.0 109.444 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -143.21 65.52 1.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.292 -0.88 . . . . 0.0 109.44 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 128.24 -57.19 0.72 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.31 -176.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.268 -1.137 . . . . 0.0 109.616 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? 65.62 123.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 74' ' ' ILE . 16.8 mm -137.28 109.18 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 121.03 -1.044 . . . . 0.0 109.809 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.58 159.48 20.64 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.203 -0.936 . . . . 0.0 108.724 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.8 m -136.49 139.13 42.08 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.064 -1.023 . . . . 0.0 109.44 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -121.75 88.77 3.0 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.315 -0.865 . . . . 0.0 109.234 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.6 m -72.74 94.82 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.228 -0.92 . . . . 0.0 109.67 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 79' ' ' THR . 7.7 t -111.97 35.17 3.83 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.334 -0.854 . . . . 0.0 108.986 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' HG3' ' CD ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -103.94 144.62 29.04 Favored Pre-proline 0 C--N 1.33 -0.276 0 O-C-N 121.407 -0.808 . . . . 0.0 109.35 -179.796 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.402 ' CD ' ' HG3' ' A' ' 80' ' ' LYS . 5.5 Cg_exo -46.32 131.27 14.8 Favored 'Trans proline' 0 N--CA 1.475 0.39 0 C-N-CA 123.687 2.925 . . . . 0.0 108.654 178.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 71.74 -17.8 0.33 Allowed 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.555 -0.716 . . . . 0.0 111.02 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.6 p -58.68 106.22 0.38 Allowed 'General case' 0 CA--C 1.532 0.272 0 O-C-N 120.395 -1.441 . . . . 0.0 109.112 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -129.03 92.02 40.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 O-C-N 121.18 -0.95 . . . . 0.0 109.247 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -32.73 111.72 0.05 OUTLIER 'Trans proline' 0 N--CA 1.482 0.832 1 C-N-CA 125.547 4.165 . . . . 0.0 111.487 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 86' ' ' LEU . 68.0 mt -80.49 -37.74 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 178.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.851 ' CE2' HD21 ' A' ' 31' ' ' LEU . 6.6 m-85 -106.18 -105.79 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.02 22.86 9.47 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.068 -0.653 . . . . 0.0 109.772 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.4 -19.4 7.16 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 119.58 -1.295 . . . . 0.0 110.53 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.765 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.7 pt -63.45 -28.76 45.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 120.997 -1.296 . . . . 0.0 109.788 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.765 ' CE2' HD12 ' A' ' 90' ' ' ILE . 9.2 m-85 -132.69 105.61 7.28 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.031 -1.043 . . . . 0.0 109.592 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.425 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 64.3 m -125.65 89.6 3.06 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.207 -0.933 . . . . 0.0 109.392 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.2 m -154.59 -49.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.252 -0.905 . . . . 0.0 109.366 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.8 t -99.68 152.39 20.13 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.254 -0.904 . . . . 0.0 109.326 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.88 -167.65 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.219 -0.926 . . . . 0.0 109.548 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.438 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.8 mm -100.45 131.6 47.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 O-C-N 121.281 -0.887 . . . . 0.0 109.424 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -78.61 -110.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.342 -0.849 . . . . 0.0 109.509 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.412 ' C ' ' H ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -102.72 -168.12 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.229 -0.919 . . . . 0.0 109.504 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.403 ' O ' ' CG ' ' A' ' 5' ' ' HIS . 0.0 OUTLIER 69.98 -9.64 0.7 Allowed 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.456 -0.778 . . . . 0.0 110.022 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 4' ' ' GLN . 7.4 tt0 -62.2 104.18 0.46 Allowed 'General case' 0 CA--C 1.531 0.221 0 O-C-N 120.939 -1.101 . . . . 0.0 109.367 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.492 ' C ' HG12 ' A' ' 8' ' ' VAL . 57.8 m -89.39 -107.58 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.352 -0.843 . . . . 0.0 109.389 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.492 HG12 ' C ' ' A' ' 7' ' ' CYS . 0.2 OUTLIER 178.83 -45.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 O-C-N 121.248 -0.907 . . . . 0.0 109.447 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.27 58.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.281 -0.887 . . . . 0.0 109.348 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' NZ ' ' CG ' ' A' ' 26' ' ' GLU . 17.0 mtpp -101.63 129.69 47.8 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.262 -0.899 . . . . 0.0 109.549 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.51 64.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.347 -0.846 . . . . 0.0 109.162 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 m -61.41 173.35 0.78 Allowed Pre-proline 0 C--N 1.33 -0.26 0 O-C-N 121.161 -0.962 . . . . 0.0 108.91 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -86.92 162.98 8.94 Favored 'Trans proline' 0 N--CA 1.478 0.597 1 C-N-CA 125.337 4.025 . . . . 0.0 110.324 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -54.1 172.25 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.288 -0.883 . . . . 0.0 109.443 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.662 ' HA ' HD12 ' A' ' 31' ' ' LEU . 0.9 OUTLIER 56.3 22.57 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.245 -0.91 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.1 t -162.4 128.23 3.45 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.259 -0.9 . . . . 0.0 109.772 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.18 -161.27 20.65 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.98 148.44 43.54 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.087 -1.243 . . . . 0.0 109.737 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.493 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 32.8 t80 -154.87 139.34 16.83 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.281 -0.887 . . . . 0.0 109.462 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -90.8 118.8 30.5 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.298 -0.876 . . . . 0.0 109.303 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 21' ' ' HIS . 20.4 m170 -54.28 145.46 17.67 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.28 -0.887 . . . . 0.0 109.497 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 22' ' ' LEU . 7.2 mp -67.15 -0.86 3.67 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.36 -0.837 . . . . 0.0 109.62 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -105.57 40.94 1.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.208 -0.933 . . . . 0.0 109.461 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 63.02 2.76 1.09 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 121.478 -0.764 . . . . 0.0 110.238 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -94.31 177.57 5.91 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 120.923 -1.11 . . . . 0.0 108.963 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' CG ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -163.12 150.4 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.23 -0.919 . . . . 0.0 109.375 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -173.95 -178.76 1.58 Allowed 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.246 -0.909 . . . . 0.0 109.636 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.3 m -96.38 127.55 42.48 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.327 -0.858 . . . . 0.0 109.778 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -113.73 156.57 23.56 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 1.1 m -77.32 160.36 28.88 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 120.825 -1.172 . . . . 0.0 109.609 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 15' ' ' ASN . 76.0 mt -77.73 -165.37 0.62 Allowed 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.291 -0.88 . . . . 0.0 109.714 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' CD1' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -70.48 158.37 36.18 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.392 -0.817 . . . . 0.0 109.392 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 m120 59.49 15.99 4.92 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.285 -0.884 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 17.4 m-85 -132.1 120.55 22.48 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.355 -0.841 . . . . 0.0 109.412 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 -172.81 2.14 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.187 -0.945 . . . . 0.0 109.45 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -106.69 156.87 18.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.648 -0.658 . . . . 0.0 109.35 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.05 100.09 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.205 -0.935 . . . . 0.0 109.564 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.77 -89.04 1.34 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.632 -1.387 . . . . 0.0 109.632 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.57 -3.85 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.239 -1.154 . . . . 0.0 109.488 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.86 147.94 50.02 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.22 -0.925 . . . . 0.0 109.243 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.1 m -81.18 142.51 33.14 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.138 -0.976 . . . . 0.0 109.316 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.9 m -117.17 179.97 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 O-C-N 121.245 -0.91 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.98 139.71 34.4 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.374 -0.829 . . . . 0.0 109.436 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 4.0 t-20 -116.42 128.46 25.98 Favored Pre-proline 0 CA--C 1.537 0.455 0 O-C-N 121.2 -0.938 . . . . 0.0 109.581 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 19.3 Cg_endo -91.65 -16.24 1.27 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 124.856 3.704 . . . . 0.0 109.983 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.53 89.44 6.82 Favored Pre-proline 0 CA--C 1.532 0.278 0 O-C-N 121.382 -0.824 . . . . 0.0 109.194 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -88.31 137.36 3.64 Favored 'Trans proline' 0 N--CA 1.48 0.685 0 C-N-CA 125.28 3.987 . . . . 0.0 110.598 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.581 HG23 ' HG2' ' A' ' 51' ' ' GLU . 10.1 t -124.81 -168.56 1.84 Allowed 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.277 -0.89 . . . . 0.0 109.272 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.95 -27.55 8.39 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.221 -0.925 . . . . 0.0 109.003 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -67.64 -1.8 5.78 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.24 -0.913 . . . . 0.0 108.685 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.581 ' HG2' HG23 ' A' ' 48' ' ' THR . 7.4 pt-20 -94.13 50.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.82 70.87 0.24 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.169 0.509 . . . . 0.0 110.654 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 11.0 t-20 59.64 78.64 0.26 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.794 0.807 . . . . 0.0 109.191 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.37 -49.38 61.34 Favored Glycine 0 CA--C 1.519 0.326 0 N-CA-C 107.832 -2.107 . . . . 0.0 107.832 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.508 ' HA2' HG22 ' A' ' 90' ' ' ILE . . . -144.89 0.47 1.0 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 107.583 -2.207 . . . . 0.0 107.583 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 57' ' ' ASP . 58.3 m -111.31 114.49 27.71 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.601 -0.941 . . . . 0.0 109.107 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.44 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 5.9 t0 -30.15 138.48 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 121.308 0.575 . . . . 0.0 111.691 -179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.19 -33.22 57.63 Favored 'General case' 0 C--N 1.333 -0.152 0 O-C-N 121.439 -0.788 . . . . 0.0 109.181 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.3 -10.79 48.35 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.316 -0.865 . . . . 0.0 108.974 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.85 163.78 16.24 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.334 -0.854 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.01 144.36 26.36 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.366 -0.834 . . . . 0.0 109.21 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 52.6 t -115.14 142.03 47.21 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.158 -0.964 . . . . 0.0 109.45 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.73 141.51 47.56 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.211 -0.931 . . . . 0.0 109.504 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.86 7.6 4.06 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.292 -0.88 . . . . 0.0 109.47 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -54.13 165.2 0.53 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.277 -0.889 . . . . 0.0 109.579 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -55.21 141.57 34.7 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.337 -0.852 . . . . 0.0 109.43 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.1 m -160.21 -132.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.248 -0.907 . . . . 0.0 109.371 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.94 -106.78 2.72 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.28 179.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.249 -1.147 . . . . 0.0 109.432 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -104.73 -43.72 5.04 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.239 -0.913 . . . . 0.0 109.422 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -119.68 -115.93 2.56 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 mmtm -58.37 137.27 57.35 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.349 -1.089 . . . . 0.0 109.362 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -97.44 106.25 18.53 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.284 -0.885 . . . . 0.0 109.444 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -142.01 129.43 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.262 -0.899 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.3 151.71 48.95 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.222 -0.924 . . . . 0.0 109.406 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.77 142.05 51.46 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.285 -0.884 . . . . 0.0 109.609 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -140.68 106.56 5.16 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.35 -0.844 . . . . 0.0 109.19 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.5 m -71.55 145.25 49.21 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.348 -0.845 . . . . 0.0 109.617 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -120.69 31.58 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.326 -0.859 . . . . 0.0 109.304 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -105.02 169.53 7.01 Favored Pre-proline 0 C--N 1.33 -0.281 0 O-C-N 121.339 -0.851 . . . . 0.0 109.375 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -90.56 135.94 2.16 Favored 'Trans proline' 0 N--CA 1.477 0.554 1 C-N-CA 125.417 4.078 . . . . 0.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.17 6.34 3.5 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.244 -0.91 . . . . 0.0 109.552 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.43 127.92 47.87 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.278 -0.889 . . . . 0.0 109.473 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.502 ' H ' ' N ' ' A' ' 93' ' ' SER . 33.2 m-85 -144.59 139.51 15.58 Favored Pre-proline 0 CA--C 1.533 0.308 0 O-C-N 121.298 -0.876 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -35.28 138.55 0.13 Allowed 'Trans proline' 0 N--CA 1.483 0.871 1 C-N-CA 125.516 4.144 . . . . 0.0 110.603 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.682 HD12 ' HB2' ' A' ' 91' ' ' PHE . 66.0 mt -103.44 -58.87 1.8 Allowed 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.218 -0.926 . . . . 0.0 109.545 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.567 ' CD2' HD11 ' A' ' 90' ' ' ILE . 87.3 m-85 -97.79 -13.63 21.24 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.172 -0.955 . . . . 0.0 109.533 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 166.6 -45.74 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.458 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . -179.87 -0.42 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.582 HD12 ' CE2' ' A' ' 91' ' ' PHE . 13.9 pt -68.55 -36.48 74.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 O-C-N 121.273 -1.134 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.682 ' HB2' HD12 ' A' ' 86' ' ' LEU . 11.1 m-85 -131.0 143.7 50.92 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.281 -0.887 . . . . 0.0 109.315 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 3.5 m -116.75 119.04 34.22 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.502 ' N ' ' H ' ' A' ' 84' ' ' TYR . 7.2 t -174.07 -121.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.228 -0.92 . . . . 0.0 109.44 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 m -156.32 144.97 20.1 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.237 -0.915 . . . . 0.0 109.488 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.6 t -126.41 -80.79 0.61 Allowed 'General case' 0 CA--C 1.531 0.249 0 O-C-N 121.282 -0.886 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.4 179.942 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 33.4 m120 . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 mm -105.48 27.1 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 O-C-N 121.282 -0.887 . . . . 0.0 109.385 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -135.7 67.13 1.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.357 -0.84 . . . . 0.0 109.394 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -148.09 -41.6 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.308 -0.87 . . . . 0.0 109.358 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.794 ' NE2' HD21 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -89.03 8.94 27.16 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.222 -0.924 . . . . 0.0 109.399 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -96.98 31.6 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.237 -0.915 . . . . 0.0 109.433 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p 35.1 -151.52 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.187 0.517 . . . . 0.0 111.378 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 t -139.76 -93.82 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 O-C-N 121.096 -1.002 . . . . 0.0 109.513 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -114.23 74.34 0.87 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.144 -0.972 . . . . 0.0 109.338 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HZ3' ' HB2' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -91.59 162.75 14.39 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.293 -0.88 . . . . 0.0 109.676 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.19 9.02 37.81 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.343 -0.848 . . . . 0.0 109.283 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.473 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 10.5 t -54.51 139.91 57.85 Favored Pre-proline 0 CA--C 1.538 0.485 0 O-C-N 121.322 -0.861 . . . . 0.0 109.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 29.4 Cg_endo -90.19 177.65 2.37 Favored 'Trans proline' 0 N--CA 1.48 0.717 0 C-N-CA 124.67 3.58 . . . . 0.0 110.881 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -62.98 175.97 0.78 Allowed 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.372 -0.83 . . . . 0.0 109.178 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.673 ' HA ' HD12 ' A' ' 31' ' ' LEU . 6.2 m-20 55.31 22.08 4.58 Favored 'General case' 0 N--CA 1.462 0.165 0 O-C-N 121.243 -0.911 . . . . 0.0 108.828 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.3 t -158.55 123.92 4.37 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.46 -0.775 . . . . 0.0 109.14 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.74 167.09 17.13 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.0 p -97.56 163.23 12.93 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.116 -1.226 . . . . 0.0 109.712 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -152.69 100.87 2.58 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.278 -0.889 . . . . 0.0 109.535 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 4.0 ttt180 -99.25 79.0 2.27 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.183 -0.948 . . . . 0.0 109.129 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.455 ' O ' HD12 ' A' ' 22' ' ' LEU . 91.7 m-70 -154.36 139.39 17.35 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.255 -0.903 . . . . 0.0 110.099 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 21' ' ' HIS . 0.7 OUTLIER 67.58 0.74 2.31 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.648 -0.658 . . . . 0.0 110.156 179.116 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -129.64 -3.31 4.77 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 121.04 -1.037 . . . . 0.0 109.343 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 54.51 22.74 4.08 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.353 -0.842 . . . . 0.0 108.849 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.07 154.09 25.09 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.564 -0.71 . . . . 0.0 109.099 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.21 122.4 28.35 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.245 -0.909 . . . . 0.0 110.034 -179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.53 166.72 10.21 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' HB2' ' HZ3' ' A' ' 10' ' ' LYS . 4.2 t -123.12 97.61 5.5 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.086 -1.009 . . . . 0.0 109.45 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -104.79 141.85 35.76 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.385 -0.822 . . . . 0.0 109.059 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 2.8 m -63.5 154.88 31.02 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.146 -0.972 . . . . 0.0 109.818 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 15' ' ' ASN . 49.9 mt -69.51 -167.45 0.13 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.3 -0.875 . . . . 0.0 109.546 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' HG ' HG21 ' A' ' 90' ' ' ILE . 0.6 OUTLIER -73.61 157.14 37.2 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 121.271 -0.893 . . . . 0.0 109.388 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.1 14.32 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.291 -0.88 . . . . 0.0 109.358 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 12.5 m-85 -126.17 116.38 21.24 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.375 -0.828 . . . . 0.0 109.213 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -101.02 -179.35 4.02 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.168 -0.958 . . . . 0.0 109.397 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -104.05 142.3 34.7 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.385 -0.822 . . . . 0.0 109.46 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -157.83 87.19 0.93 Allowed 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.25 -0.906 . . . . 0.0 109.525 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.63 -105.96 3.36 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 109.73 -1.348 . . . . 0.0 109.73 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -128.45 5.04 5.66 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.177 -1.19 . . . . 0.0 109.426 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -138.89 130.44 27.35 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.235 -0.916 . . . . 0.0 109.217 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.1 m -71.09 136.27 48.15 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.301 -0.875 . . . . 0.0 109.587 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.463 HG22 ' HG3' ' A' ' 35' ' ' LYS . 3.0 m -108.33 -179.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 O-C-N 121.253 -0.905 . . . . 0.0 109.858 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -76.95 127.27 32.39 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.549 -0.72 . . . . 0.0 109.33 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.452 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 2.0 t-20 -110.88 123.63 34.96 Favored Pre-proline 0 CA--C 1.535 0.401 0 O-C-N 121.274 -0.891 . . . . 0.0 109.372 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.6 Cg_endo -90.75 -15.6 1.69 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 124.735 3.623 . . . . 0.0 110.303 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -132.97 85.14 46.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.278 -0.889 . . . . 0.0 109.723 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -91.44 167.02 3.46 Favored 'Trans proline' 0 N--CA 1.476 0.486 1 C-N-CA 125.624 4.216 . . . . 0.0 109.904 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.85 HG23 ' HG2' ' A' ' 51' ' ' GLU . 5.5 t -152.7 179.5 8.57 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.117 -0.99 . . . . 0.0 109.883 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.7 m -111.5 -29.51 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -57.95 -17.99 20.54 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.402 -0.811 . . . . 0.0 108.826 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.85 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.5 pt-20 -74.0 66.63 1.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.0 p30 42.13 53.01 4.41 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.074 0.464 . . . . 0.0 111.301 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.508 HD22 ' HA ' ' A' ' 58' ' ' ALA . 6.8 t30 62.61 65.84 0.81 Allowed 'General case' 0 N--CA 1.462 0.169 0 O-C-N 120.923 -1.11 . . . . 0.0 108.874 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.38 -51.11 5.08 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 108.895 -1.682 . . . . 0.0 108.895 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.79 -19.76 78.67 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.65 154.76 24.44 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.0 -1.294 . . . . 0.0 110.417 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.468 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -55.29 -94.32 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.373 -0.83 . . . . 0.0 109.823 -179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.508 ' HA ' HD22 ' A' ' 53' ' ' ASN . . . -154.15 -15.35 0.13 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.334 -0.854 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.74 -17.6 6.82 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.292 -0.88 . . . . 0.0 109.484 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.99 178.78 2.55 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.272 -0.892 . . . . 0.0 109.427 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.67 124.62 49.19 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.273 -0.892 . . . . 0.0 109.592 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.92 157.91 15.89 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.423 -0.798 . . . . 0.0 109.389 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.55 151.63 24.53 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.11 -0.994 . . . . 0.0 109.554 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -144.95 -4.36 0.74 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.169 -0.957 . . . . 0.0 109.559 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -76.66 137.96 39.75 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.239 -0.913 . . . . 0.0 109.508 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t0 63.0 153.94 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.422 -0.799 . . . . 0.0 109.802 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.44 -83.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.217 -0.927 . . . . 0.0 109.429 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.9 -135.62 1.85 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.91 160.33 43.37 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.198 -1.177 . . . . 0.0 109.405 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 m120 63.61 68.3 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.167 -0.958 . . . . 0.0 109.367 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.61 116.33 3.42 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.516 ' H ' ' CD ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -57.75 176.2 0.15 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.275 -1.133 . . . . 0.0 109.426 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -153.34 163.69 39.47 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.238 -0.914 . . . . 0.0 109.377 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mm -130.33 154.02 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 121.289 -0.882 . . . . 0.0 109.481 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.54 151.63 51.86 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.255 -0.903 . . . . 0.0 109.512 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.1 m -154.21 145.83 23.25 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.239 -0.913 . . . . 0.0 109.22 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -151.11 118.75 6.1 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.232 -0.917 . . . . 0.0 109.75 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 91.62 8.76 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -81.84 -10.89 59.19 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.319 -0.863 . . . . 0.0 110.077 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.72 174.31 0.21 Allowed Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.206 -0.934 . . . . 0.0 109.446 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -88.83 -52.24 0.02 OUTLIER 'Trans proline' 0 N--CA 1.478 0.569 1 C-N-CA 125.453 4.102 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -79.68 14.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.355 -0.841 . . . . 0.0 108.97 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 p -79.82 126.73 31.36 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.502 -0.749 . . . . 0.0 109.453 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -142.42 75.1 19.67 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.348 -0.845 . . . . 0.0 109.332 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -30.6 144.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.484 0.94 1 C-N-CA 126.14 4.56 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.794 HD21 ' NE2' ' A' ' 5' ' ' HIS . 53.6 mt -114.84 -53.87 2.61 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.252 -0.905 . . . . 0.0 109.71 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.402 ' O ' ' CB ' ' A' ' 88' ' ' ASP . 59.5 m-85 -102.78 -11.7 18.14 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.223 -0.923 . . . . 0.0 109.579 -179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.6 OUTLIER 166.0 -39.64 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.418 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . 164.07 11.11 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.677 HD12 ' CE2' ' A' ' 91' ' ' PHE . 3.2 pt -88.72 5.02 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 O-C-N 121.201 -1.176 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.677 ' CE2' HD12 ' A' ' 90' ' ' ILE . 75.8 m-85 -151.87 49.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.312 -0.868 . . . . 0.0 109.522 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.4 121.8 25.61 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.144 -0.973 . . . . 0.0 109.471 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.89 158.17 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.207 -0.933 . . . . 0.0 109.56 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.3 -160.02 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.315 -0.866 . . . . 0.0 109.225 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.7 t -162.44 -0.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.221 -0.924 . . . . 0.0 109.349 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.375 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 49.9 t30 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.539 ' H ' HD13 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -92.5 139.32 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.243 -0.911 . . . . 0.0 109.468 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 t -76.64 138.36 40.02 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.268 -0.895 . . . . 0.0 109.424 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -143.7 -26.09 0.56 Allowed 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.318 -0.864 . . . . 0.0 109.307 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -71.75 -7.18 46.54 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.298 -0.876 . . . . 0.0 109.634 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 58.79 -94.24 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.311 -0.868 . . . . 0.0 109.463 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 62.37 113.84 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 109.819 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.826 HG22 ' H ' ' A' ' 9' ' ' LYS . 2.5 p -160.47 -172.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 O-C-N 121.071 -1.018 . . . . 0.0 109.427 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.826 ' H ' HG22 ' A' ' 8' ' ' VAL . 10.3 tttm 56.94 20.8 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.253 -0.904 . . . . 0.0 109.423 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HZ2' ' HB3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -165.07 169.24 16.49 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.312 -0.868 . . . . 0.0 109.425 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -127.23 -179.58 4.95 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.271 -0.893 . . . . 0.0 109.578 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 49.4 t -151.88 138.04 11.56 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 7.4 Cg_endo -77.4 -173.92 1.99 Allowed 'Trans proline' 0 N--CA 1.485 0.988 0 C-N-CA 124.098 3.199 . . . . 0.0 110.789 -179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -77.76 173.28 12.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.707 ' HA ' HD12 ' A' ' 31' ' ' LEU . 56.3 m-20 55.35 24.7 6.81 Favored 'General case' 0 C--N 1.332 -0.154 0 O-C-N 121.163 -0.961 . . . . 0.0 108.549 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.6 p -160.32 133.43 6.68 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.585 -0.697 . . . . 0.0 109.202 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -110.27 167.53 12.71 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.4 t -86.53 162.87 17.82 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.099 -1.236 . . . . 0.0 109.862 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -169.42 119.8 0.68 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.37 -0.831 . . . . 0.0 109.219 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.3 ttt-85 -74.25 120.86 20.4 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.235 -0.916 . . . . 0.0 109.159 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -54.64 142.11 29.42 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.211 -0.931 . . . . 0.0 109.361 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.662 ' H ' HD12 ' A' ' 22' ' ' LEU . 6.3 mp -66.9 -1.79 4.43 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.353 -0.842 . . . . 0.0 109.489 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.36 30.72 4.75 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.277 -0.889 . . . . 0.0 109.348 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 73.48 -12.06 0.86 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.193 0.52 . . . . 0.0 109.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -75.93 174.57 9.78 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.054 -1.029 . . . . 0.0 109.477 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HB3' ' HZ2' ' A' ' 10' ' ' LYS . 28.6 mt-10 -140.1 132.58 28.58 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.227 -0.921 . . . . 0.0 109.53 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -159.85 162.67 34.72 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.269 -0.895 . . . . 0.0 109.401 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.43 126.42 55.32 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.255 -0.903 . . . . 0.0 109.004 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -99.44 174.65 6.17 Favored 'General case' 0 C--O 1.225 -0.199 0 O-C-N 121.321 -0.862 . . . . 0.0 109.238 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.7 m -76.82 170.0 17.27 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.046 -1.034 . . . . 0.0 110.241 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.876 HD21 ' CE2' ' A' ' 87' ' ' PHE . 9.1 mt -76.72 -166.28 0.65 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.296 -0.878 . . . . 0.0 109.749 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -75.18 159.35 31.7 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.326 -0.859 . . . . 0.0 109.738 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 m120 56.99 16.17 2.7 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.496 -0.753 . . . . 0.0 109.92 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -117.33 179.98 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 121.226 -0.922 . . . . 0.0 109.039 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' HG3' HG23 ' A' ' 42' ' ' VAL . 8.0 ptmt -157.73 -174.76 5.01 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.337 -0.852 . . . . 0.0 108.96 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -117.95 135.02 54.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.481 -0.762 . . . . 0.0 109.517 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -144.35 71.94 1.33 Allowed 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.376 -0.827 . . . . 0.0 109.378 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.52 -103.79 2.5 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -124.67 1.11 8.19 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.259 -1.142 . . . . 0.0 109.412 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -133.15 135.63 45.27 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.202 -0.936 . . . . 0.0 109.224 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 83.3 m -74.01 151.48 40.25 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.095 -1.003 . . . . 0.0 109.549 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.487 HG23 ' HG3' ' A' ' 35' ' ' LYS . 29.8 m -129.58 164.28 32.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 O-C-N 121.181 -0.949 . . . . 0.0 109.793 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.81 148.71 19.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.359 -0.838 . . . . 0.0 109.399 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.51 HD22 ' CD ' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -120.84 112.9 33.38 Favored Pre-proline 0 CA--C 1.536 0.423 0 O-C-N 121.312 -0.867 . . . . 0.0 109.527 -179.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.51 ' CD ' HD22 ' A' ' 44' ' ' ASN . 12.8 Cg_endo -89.64 -23.35 0.78 Allowed 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 124.928 3.752 . . . . 0.0 109.916 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.408 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 29.4 m120 -133.02 84.53 48.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 121.391 -0.818 . . . . 0.0 109.073 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -90.5 146.98 4.17 Favored 'Trans proline' 0 N--CA 1.477 0.513 1 C-N-CA 125.551 4.167 . . . . 0.0 110.71 -179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.5 t -153.58 -151.55 0.38 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.354 -0.841 . . . . 0.0 108.995 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -116.5 -34.16 4.66 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.045 -1.034 . . . . 0.0 108.644 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -69.84 2.86 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.53 -0.731 . . . . 0.0 109.361 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -98.32 52.31 1.03 Allowed 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.174 -0.954 . . . . 0.0 108.771 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 42.57 69.83 0.34 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.536 0.684 . . . . 0.0 109.691 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.479 HD22 ' N ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER 61.18 93.09 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 122.25 1.024 . . . . 0.0 108.889 -179.256 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.55 -32.34 54.8 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 107.789 -2.124 . . . . 0.0 107.789 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.445 ' H ' ' H ' ' A' ' 56' ' ' CYS . . . -169.53 7.38 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 107.461 -2.256 . . . . 0.0 107.461 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.479 ' N ' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -105.74 71.55 0.92 Allowed 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.565 -0.962 . . . . 0.0 110.575 -179.788 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.44 ' OD2' ' HB2' ' A' ' 60' ' ' ALA . 0.1 OUTLIER 30.2 -92.55 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.492 0.663 . . . . 0.0 112.227 179.084 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -160.25 -19.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.185 -0.947 . . . . 0.0 108.878 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.01 -9.82 5.97 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.44 ' HB2' ' OD2' ' A' ' 57' ' ' ASP . . . -69.8 147.14 50.81 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.391 -0.818 . . . . 0.0 109.154 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 125.56 30.58 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.257 -0.902 . . . . 0.0 109.481 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.39 135.88 41.13 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.453 -0.779 . . . . 0.0 108.953 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.78 142.76 51.45 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.147 -0.97 . . . . 0.0 109.85 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.91 0.03 3.84 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.334 -0.854 . . . . 0.0 109.42 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.39 179.51 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.303 -0.873 . . . . 0.0 109.708 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.1 t0 56.57 16.99 2.8 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.391 -0.818 . . . . 0.0 109.838 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.517 ' HB2' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -142.05 142.22 32.84 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.247 -0.908 . . . . 0.0 109.448 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 153.28 83.75 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -177.29 -109.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.278 -1.13 . . . . 0.0 109.431 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -100.2 42.76 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.226 -0.921 . . . . 0.0 109.466 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 145.24 98.15 0.23 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -76.57 140.29 41.02 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.284 -1.127 . . . . 0.0 109.437 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.517 ' H ' ' HB2' ' A' ' 67' ' ' SER . 0.0 OUTLIER -104.9 161.98 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.285 -0.884 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.487 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.3 mm -142.46 114.0 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 O-C-N 121.304 -0.873 . . . . 0.0 109.532 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.2 152.14 23.86 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.304 -0.873 . . . . 0.0 109.216 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -130.04 140.62 50.83 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.232 -0.918 . . . . 0.0 109.782 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -143.07 121.1 12.08 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.419 -0.801 . . . . 0.0 109.089 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 106.85 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.184 -0.947 . . . . 0.0 109.517 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 79' ' ' THR . 11.7 t -78.93 43.62 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.295 -0.878 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.95 168.62 9.93 Favored Pre-proline 0 CA--C 1.532 0.281 0 O-C-N 121.244 -0.91 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -87.28 -48.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.658 0 C-N-CA 125.197 3.931 . . . . 0.0 110.107 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.04 16.53 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.235 -0.916 . . . . 0.0 109.059 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 p -66.27 116.15 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.397 -0.815 . . . . 0.0 109.545 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -139.2 69.33 40.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 O-C-N 121.293 -0.88 . . . . 0.0 109.18 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -31.07 111.67 0.04 OUTLIER 'Trans proline' 0 N--CA 1.48 0.686 1 C-N-CA 126.336 4.691 . . . . 0.0 111.142 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.6 mt -75.0 -35.25 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.876 ' CE2' HD21 ' A' ' 31' ' ' LEU . 6.7 m-85 -109.75 -107.14 0.35 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -116.76 25.61 10.43 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 121.685 -0.635 . . . . 0.0 109.617 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.85 -19.33 12.3 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 119.716 -1.23 . . . . 0.0 110.24 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.924 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.3 OUTLIER -65.39 -5.43 2.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 O-C-N 120.998 -1.295 . . . . 0.0 109.737 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.924 ' CE2' HD12 ' A' ' 90' ' ' ILE . 40.7 m-85 -139.84 79.77 1.73 Allowed 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.02 -1.05 . . . . 0.0 109.737 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 20.3 m -90.21 100.13 13.02 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.196 -0.94 . . . . 0.0 109.109 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.3 156.48 3.2 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.279 -0.888 . . . . 0.0 109.697 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.78 -27.6 1.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.371 -0.831 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.1 t 59.7 47.06 10.92 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.196 -0.94 . . . . 0.0 109.315 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.479 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 121.299 0.571 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.59 ' H ' HD13 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -133.87 -176.08 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 121.26 -0.9 . . . . 0.0 109.426 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 p -162.21 47.83 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.272 -0.892 . . . . 0.0 109.456 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -95.32 -107.94 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.188 -0.945 . . . . 0.0 109.365 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.477 ' HD2' HD11 ' A' ' 86' ' ' LEU . 32.9 p-80 -74.36 -16.09 60.91 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.296 -0.877 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.48 10.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.241 -0.912 . . . . 0.0 109.272 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 77.8 m 58.45 172.52 0.06 Allowed 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.368 -0.832 . . . . 0.0 109.616 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.422 HG23 ' OE2' ' A' ' 26' ' ' GLU . 2.4 t -99.71 -79.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 O-C-N 121.181 -0.949 . . . . 0.0 109.599 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -112.08 -87.81 0.54 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.222 -0.924 . . . . 0.0 109.482 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HG2' ' H ' ' A' ' 11' ' ' GLN . 0.3 OUTLIER 56.77 -135.84 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.217 -0.927 . . . . 0.0 109.411 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.451 ' H ' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -161.4 -90.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.253 -0.905 . . . . 0.0 109.596 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 13.7 t 65.83 126.12 0.03 OUTLIER Pre-proline 0 CA--C 1.54 0.571 0 O-C-N 121.68 -0.638 . . . . 0.0 109.314 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 29.4 Cg_endo -87.34 177.42 3.83 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 124.387 3.392 . . . . 0.0 110.604 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.4 ' H ' ' HG3' ' A' ' 14' ' ' GLN . 29.6 mt-30 -62.19 178.44 0.38 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.29 -0.881 . . . . 0.0 109.325 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.618 ' HA ' HD12 ' A' ' 31' ' ' LEU . 20.9 m-20 55.22 22.44 4.71 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.268 -0.895 . . . . 0.0 109.09 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.408 ' HA ' ' N ' ' A' ' 31' ' ' LEU . 1.4 m -160.5 125.83 3.89 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.3 -0.875 . . . . 0.0 109.528 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -100.52 169.3 21.31 Favored Glycine 0 CA--C 1.532 1.111 0 N-CA-C 109.286 -1.525 . . . . 0.0 109.286 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.66 173.07 7.09 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.071 -1.252 . . . . 0.0 109.888 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -169.92 110.82 0.43 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.325 -0.859 . . . . 0.0 109.003 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 13.2 ttt-85 -113.0 77.93 1.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.14 -0.975 . . . . 0.0 109.633 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.516 ' O ' HD12 ' A' ' 22' ' ' LEU . 85.9 m-70 -154.85 163.02 40.88 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.229 -0.92 . . . . 0.0 110.156 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 21' ' ' HIS . 0.7 OUTLIER 70.91 -40.0 0.46 Allowed 'General case' 0 N--CA 1.467 0.396 0 O-C-N 121.881 -0.512 . . . . 0.0 110.565 179.233 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.58 5.54 25.14 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 120.909 -1.119 . . . . 0.0 109.417 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 54.93 22.52 4.38 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.376 -0.828 . . . . 0.0 108.889 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -140.51 148.1 40.54 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.498 -0.751 . . . . 0.0 109.345 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' OE2' HG23 ' A' ' 8' ' ' VAL . 36.7 mt-10 -78.08 143.34 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.285 -0.885 . . . . 0.0 109.638 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -139.46 166.28 25.0 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.308 -0.87 . . . . 0.0 109.306 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -124.62 92.36 3.64 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.132 -0.98 . . . . 0.0 109.51 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -87.03 155.76 20.02 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -77.26 152.38 34.67 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 120.853 -1.155 . . . . 0.0 109.81 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.73 HD21 ' CE1' ' A' ' 87' ' ' PHE . 6.5 mt -59.45 -167.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.422 -0.799 . . . . 0.0 109.782 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.678 ' HG ' HG21 ' A' ' 90' ' ' ILE . 2.7 mt -77.91 163.88 25.62 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.256 -0.903 . . . . 0.0 109.169 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 57.82 17.32 4.13 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.22 -0.925 . . . . 0.0 109.428 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -122.71 177.7 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.309 -0.87 . . . . 0.0 109.333 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.09 -179.06 7.53 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.323 -0.86 . . . . 0.0 108.818 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -123.86 134.45 53.57 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.307 -0.871 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.66 65.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.313 -0.867 . . . . 0.0 109.206 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.04 -101.51 1.27 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.9 -0.56 5.96 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.244 -1.151 . . . . 0.0 109.335 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -128.84 131.88 47.73 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.247 -0.908 . . . . 0.0 109.222 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.9 m -79.59 151.55 30.57 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.191 -0.943 . . . . 0.0 109.646 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.9 m -131.46 170.11 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 O-C-N 121.191 -0.943 . . . . 0.0 109.826 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.0 145.68 40.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.357 -0.839 . . . . 0.0 109.752 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.11 67.76 75.07 Favored Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 121.314 -0.866 . . . . 0.0 109.559 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -34.34 -33.72 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.769 1 C-N-CA 126.013 4.475 . . . . 0.0 110.455 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -131.07 91.58 35.79 Favored Pre-proline 0 CA--C 1.532 0.258 0 O-C-N 121.363 -0.836 . . . . 0.0 109.404 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -87.33 169.73 7.08 Favored 'Trans proline' 0 N--CA 1.48 0.677 0 C-N-CA 125.147 3.898 . . . . 0.0 110.168 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.782 HG23 ' HG2' ' A' ' 51' ' ' GLU . 9.6 t -155.97 -175.31 5.36 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.229 -0.919 . . . . 0.0 109.659 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 31.3 m -111.05 -30.69 7.39 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -18.37 14.58 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 121.384 -0.822 . . . . 0.0 109.042 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.782 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.9 pt-20 -74.04 66.39 1.2 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.464 -0.772 . . . . 0.0 108.934 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.9 p30 42.08 53.44 4.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.123 0.487 . . . . 0.0 111.23 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.525 HD22 ' CA ' ' A' ' 58' ' ' ALA . 7.1 t30 62.34 67.41 0.73 Allowed 'General case' 0 N--CA 1.463 0.184 0 O-C-N 120.936 -1.102 . . . . 0.0 108.945 179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.01 -49.18 5.14 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 108.711 -1.756 . . . . 0.0 108.711 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.71 -21.34 77.02 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.438 ' HB3' HD21 ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.86 152.87 27.44 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 121.132 -1.217 . . . . 0.0 110.177 -179.804 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -52.8 -92.3 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 O-C-N 121.452 -0.78 . . . . 0.0 109.918 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.525 ' CA ' HD22 ' A' ' 53' ' ' ASN . . . -151.89 -27.99 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.268 -0.895 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -113.28 -12.06 13.12 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.243 -0.911 . . . . 0.0 109.421 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.43 177.93 2.66 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.267 -0.895 . . . . 0.0 109.391 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 120.81 41.93 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.126 -0.984 . . . . 0.0 109.658 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.94 151.5 19.36 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.273 -0.892 . . . . 0.0 109.243 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.37 152.36 35.65 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.07 -1.019 . . . . 0.0 109.5 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -145.05 -18.8 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.272 -0.893 . . . . 0.0 109.574 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -73.32 173.48 9.46 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.178 -0.951 . . . . 0.0 109.511 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t0 53.09 -169.39 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 O-C-N 121.464 -0.773 . . . . 0.0 109.747 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.25 -171.24 0.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.311 -0.868 . . . . 0.0 109.427 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.5 143.43 6.16 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.07 -54.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.292 -1.122 . . . . 0.0 109.394 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -105.29 -55.9 2.26 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.19 -0.944 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -160.08 -112.53 0.31 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -70.7 125.65 27.42 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.223 -1.163 . . . . 0.0 109.355 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.4 139.97 49.05 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.164 -0.96 . . . . 0.0 109.519 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -137.33 142.25 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 121.261 -0.899 . . . . 0.0 109.276 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.34 162.71 28.45 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.188 -0.945 . . . . 0.0 109.455 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -161.95 140.31 9.16 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.211 -0.931 . . . . 0.0 109.58 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -144.43 116.92 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.329 -0.857 . . . . 0.0 109.091 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.2 86.52 7.1 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.269 -0.894 . . . . 0.0 109.091 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.403 ' H ' HG22 ' A' ' 79' ' ' THR . 4.4 t -81.13 29.6 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.296 -0.877 . . . . 0.0 109.384 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -91.75 176.41 2.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 121.306 -0.871 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.411 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 10.6 Cg_endo -86.68 136.46 4.47 Favored 'Trans proline' 0 N--CA 1.476 0.488 0 C-N-CA 125.265 3.977 . . . . 0.0 109.766 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 66.04 6.52 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.358 -0.839 . . . . 0.0 109.063 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 54.3 p -66.6 121.3 15.05 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.315 -0.866 . . . . 0.0 109.076 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 83' ' ' SER . 9.2 m-85 -143.33 79.47 14.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 O-C-N 121.247 -0.908 . . . . 0.0 109.447 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 24.6 Cg_exo -30.66 117.17 0.06 OUTLIER 'Trans proline' 0 N--CA 1.482 0.804 1 C-N-CA 125.96 4.44 . . . . 0.0 111.095 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.477 HD11 ' HD2' ' A' ' 5' ' ' HIS . 19.9 mt -75.95 -27.91 57.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.73 ' CE1' HD21 ' A' ' 31' ' ' LEU . 71.2 m-85 -121.0 -110.08 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.53 31.2 6.5 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 121.535 -0.728 . . . . 0.0 109.833 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.77 49.78 1.9 Allowed Glycine 0 CA--C 1.529 0.948 0 C-N-CA 119.656 -1.259 . . . . 0.0 110.149 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.751 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -129.45 1.54 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 O-C-N 121.158 -1.201 . . . . 0.0 109.036 179.431 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.751 ' CE2' HD12 ' A' ' 90' ' ' ILE . 94.8 m-85 -153.71 39.87 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.385 -0.822 . . . . 0.0 109.331 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.3 m -67.0 111.55 3.89 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.248 -0.907 . . . . 0.0 109.355 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.2 t -175.37 158.13 2.27 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.195 -0.941 . . . . 0.0 109.521 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t 176.42 0.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.359 -0.838 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.0 p -104.26 -102.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.257 -0.902 . . . . 0.0 109.463 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.405 ' HB2' ' HD1' ' A' ' 21' ' ' HIS . 1.2 t-20 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.98 -1.009 . . . . 0.0 109.434 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.3 m120 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 121.328 0.585 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.0 mm 55.26 79.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 O-C-N 121.236 -0.915 . . . . 0.0 109.445 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.62 -75.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.229 -0.92 . . . . 0.0 109.429 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -169.24 24.2 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.239 -0.913 . . . . 0.0 109.499 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.438 ' CD2' ' HB3' ' A' ' 93' ' ' SER . 0.0 OUTLIER -61.69 -16.41 48.7 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.294 -0.879 . . . . 0.0 109.382 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -60.04 -13.71 12.93 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.238 -0.914 . . . . 0.0 109.564 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 m 57.12 177.64 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.28 -0.887 . . . . 0.0 109.592 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.02 -69.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 121.175 -0.953 . . . . 0.0 109.491 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 -2.69 12.45 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.283 -0.885 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HZ2' ' HG2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -69.16 156.25 39.02 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.221 -0.924 . . . . 0.0 109.406 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -154.94 -23.63 0.12 Allowed 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.267 -0.896 . . . . 0.0 109.804 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 22.5 m 60.77 169.96 0.08 OUTLIER Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 121.163 -0.961 . . . . 0.0 109.087 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -85.94 169.69 8.87 Favored 'Trans proline' 0 N--CA 1.478 0.606 0 C-N-CA 125.064 3.843 . . . . 0.0 110.533 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -54.25 161.64 1.27 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.321 -0.862 . . . . 0.0 109.654 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.681 ' HA ' HD12 ' A' ' 31' ' ' LEU . 4.7 m-80 62.59 25.79 15.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.301 -0.875 . . . . 0.0 109.529 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -162.57 141.22 8.82 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.144 -0.972 . . . . 0.0 109.924 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.02 -177.67 17.79 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.77 159.04 15.51 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.233 -1.157 . . . . 0.0 109.84 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.73 ' HE2' HD12 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -157.1 97.21 1.65 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -124.21 84.13 2.24 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.142 -0.974 . . . . 0.0 110.359 -179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.423 ' CE1' ' HG ' ' A' ' 22' ' ' LEU . 5.6 p80 -175.63 -38.05 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.019 -1.05 . . . . 0.0 110.183 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.73 HD12 ' HE2' ' A' ' 19' ' ' PHE . 6.0 mt -75.04 -5.17 42.64 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.084 -1.01 . . . . 0.0 109.687 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 p30 -142.99 11.09 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.294 -0.879 . . . . 0.0 108.838 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 54.78 20.0 2.83 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.412 -0.805 . . . . 0.0 109.365 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mtt85 -138.31 149.15 45.38 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.394 -0.816 . . . . 0.0 108.918 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HG2' ' HZ2' ' A' ' 10' ' ' LYS . 3.8 mt-10 -81.84 116.62 21.59 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.168 -0.957 . . . . 0.0 109.965 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.21 160.81 28.31 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.352 -0.843 . . . . 0.0 109.28 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.0 m -113.99 108.31 16.85 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.272 -0.892 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -93.8 172.48 8.22 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.253 -0.904 . . . . 0.0 108.958 179.731 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.439 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.2 m -97.62 150.76 20.8 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 120.895 -1.128 . . . . 0.0 109.239 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.683 HD23 ' CD1' ' A' ' 90' ' ' ILE . 68.7 mt -61.0 -164.73 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.082 -1.011 . . . . 0.0 109.725 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.13 167.21 22.28 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.144 -0.972 . . . . 0.0 109.619 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 56.73 19.19 4.19 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.206 -0.934 . . . . 0.0 109.276 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 23.7 m-85 -128.29 175.45 8.46 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.319 -0.863 . . . . 0.0 109.429 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.432 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -159.53 -172.7 3.81 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -115.46 140.68 48.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.43 -0.794 . . . . 0.0 109.484 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.4 ' OE1' HG11 ' A' ' 42' ' ' VAL . 67.8 tt0 -163.93 87.28 0.5 Allowed 'General case' 0 CA--C 1.53 0.201 0 O-C-N 121.221 -0.924 . . . . 0.0 109.384 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.56 -117.91 5.93 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -120.52 12.74 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.302 -1.117 . . . . 0.0 109.419 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -146.66 139.61 25.37 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.239 -0.913 . . . . 0.0 109.183 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.5 m -70.41 150.8 45.87 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.129 -0.982 . . . . 0.0 109.15 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.432 HG23 ' HG3' ' A' ' 35' ' ' LYS . 32.1 m -126.33 174.21 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 O-C-N 121.141 -0.974 . . . . 0.0 109.687 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.7 149.41 50.17 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 121.254 -0.903 . . . . 0.0 109.454 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.73 67.69 51.28 Favored Pre-proline 0 C--N 1.331 -0.234 0 O-C-N 121.23 -0.919 . . . . 0.0 109.687 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -34.54 -43.77 0.38 Allowed 'Trans proline' 0 N--CA 1.482 0.807 1 C-N-CA 125.954 4.436 . . . . 0.0 110.461 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -129.07 89.0 49.81 Favored Pre-proline 0 CA--C 1.533 0.289 0 O-C-N 121.318 -0.864 . . . . 0.0 109.105 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -88.99 143.46 4.89 Favored 'Trans proline' 0 N--CA 1.477 0.541 1 C-N-CA 125.399 4.066 . . . . 0.0 110.604 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.6 t -131.86 -163.98 1.4 Allowed 'General case' 0 C--N 1.331 -0.197 0 O-C-N 121.341 -0.85 . . . . 0.0 109.159 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -112.45 -27.0 8.43 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.244 -0.91 . . . . 0.0 108.753 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.61 1.82 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -100.82 51.03 0.87 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 p30 41.56 72.12 0.18 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.285 0.564 . . . . 0.0 110.389 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.504 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.4 OUTLIER 61.68 89.48 0.08 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 122.598 1.189 . . . . 0.0 108.425 -179.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -96.81 35.13 4.58 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 107.973 -2.051 . . . . 0.0 107.973 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.67 -11.55 7.04 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 107.981 -2.048 . . . . 0.0 107.981 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.504 ' C ' HD22 ' A' ' 53' ' ' ASN . 62.4 m -111.09 128.74 55.97 Favored 'General case' 0 C--O 1.23 0.077 0 O-C-N 121.298 -1.119 . . . . 0.0 108.5 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.465 ' HB2' ' H ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -38.56 129.59 1.41 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.361 0.601 . . . . 0.0 111.03 -178.636 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.541 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . . . -52.63 -24.03 7.66 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.598 -0.689 . . . . 0.0 109.543 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.69 -16.94 19.72 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.204 -0.935 . . . . 0.0 109.474 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.465 ' H ' ' HB2' ' A' ' 57' ' ' ASP . . . -75.7 166.28 23.78 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.199 -0.938 . . . . 0.0 109.657 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -95.68 106.05 18.11 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 43.7 t -79.7 149.61 31.15 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.265 -0.897 . . . . 0.0 109.782 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.33 141.59 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.32 -0.862 . . . . 0.0 108.939 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -145.28 0.71 0.92 Allowed 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.18 -0.95 . . . . 0.0 109.481 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -91.93 72.93 5.64 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.23 -0.919 . . . . 0.0 109.385 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -131.63 -69.01 0.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.091 -1.006 . . . . 0.0 109.46 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -106.89 -172.94 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.281 -0.887 . . . . 0.0 109.488 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.31 80.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 m -151.24 -116.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.241 -1.152 . . . . 0.0 109.4 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.53 23.97 5.6 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.292 -0.88 . . . . 0.0 109.48 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.9 103.42 0.18 Allowed Glycine 0 CA--C 1.529 0.927 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 mmtt -71.37 152.53 43.08 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.247 -1.149 . . . . 0.0 109.389 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -115.42 135.56 53.99 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.222 -0.924 . . . . 0.0 109.507 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.96 130.02 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 O-C-N 121.386 -0.821 . . . . 0.0 109.089 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.66 142.56 50.7 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.073 -1.017 . . . . 0.0 109.676 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.3 m -117.62 113.96 22.69 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.293 -0.88 . . . . 0.0 109.28 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -116.5 120.4 38.63 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.206 -0.934 . . . . 0.0 109.036 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 151.41 41.65 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.073 -1.017 . . . . 0.0 108.925 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 t -107.89 -4.27 18.12 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.199 -0.938 . . . . 0.0 109.513 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.67 170.14 16.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.26 -0.9 . . . . 0.0 109.278 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -87.0 -49.53 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.662 1 C-N-CA 125.335 4.023 . . . . 0.0 110.076 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -82.61 21.89 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.288 -0.883 . . . . 0.0 108.906 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.1 121.15 16.93 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.501 -0.749 . . . . 0.0 109.545 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.414 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 11.8 m-85 -140.0 87.57 12.42 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 121.322 -0.861 . . . . 0.0 108.967 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 24.9 Cg_exo -30.65 110.09 0.04 OUTLIER 'Trans proline' 0 N--CA 1.483 0.867 1 C-N-CA 125.764 4.31 . . . . 0.0 111.214 -179.461 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.424 ' HG ' ' CE1' ' A' ' 5' ' ' HIS . 1.1 mm? -67.76 -20.68 65.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -142.86 -105.68 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -111.55 23.51 13.85 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.002 -0.679 . . . . 0.0 110.086 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.3 25.99 5.6 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 119.458 -1.353 . . . . 0.0 110.704 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.683 ' CD1' HD23 ' A' ' 31' ' ' LEU . 2.0 pt -96.76 -29.26 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 O-C-N 120.883 -1.363 . . . . 0.0 108.806 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.67 ' CE2' HD12 ' A' ' 90' ' ' ILE . 5.0 m-85 -137.29 107.14 6.26 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.39 -0.819 . . . . 0.0 109.162 179.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 73.6 m -99.82 102.86 14.41 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.971 -1.08 . . . . 0.0 109.197 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.438 ' HB3' ' CD2' ' A' ' 5' ' ' HIS . 30.1 t -167.77 -142.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.22 -0.925 . . . . 0.0 109.534 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 t 66.31 -157.67 0.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.43 -0.794 . . . . 0.0 109.299 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.9 t -166.51 -105.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.224 -0.922 . . . . 0.0 109.448 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.957 -1.02 . . . . 0.0 109.483 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.5 mm -65.78 148.86 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 121.249 -0.907 . . . . 0.0 109.564 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 m -123.47 -97.3 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.3 -0.875 . . . . 0.0 109.363 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -168.37 -20.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.313 -0.867 . . . . 0.0 109.33 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.462 ' CD2' ' CE1' ' A' ' 21' ' ' HIS . 2.7 m-70 -83.43 26.86 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.329 -0.857 . . . . 0.0 109.376 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.2 -138.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.254 -0.904 . . . . 0.0 109.454 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -162.55 -173.75 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.297 -0.877 . . . . 0.0 109.561 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -126.45 -60.05 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 O-C-N 121.271 -0.893 . . . . 0.0 109.427 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -163.98 55.47 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.28 -0.887 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.593 ' HZ1' ' CA ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -85.98 1.59 49.58 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.19 -0.944 . . . . 0.0 109.649 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.14 64.45 0.36 Allowed 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.447 -0.783 . . . . 0.0 109.968 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 28' ' ' CYS . 33.2 t -104.7 138.21 19.45 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -82.37 -179.95 5.01 Favored 'Trans proline' 0 N--CA 1.484 0.926 0 C-N-CA 124.338 3.359 . . . . 0.0 111.151 -178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -77.99 177.87 7.93 Favored 'General case' 0 C--N 1.333 -0.136 0 O-C-N 121.429 -0.794 . . . . 0.0 109.027 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.881 ' HA ' HD12 ' A' ' 31' ' ' LEU . 7.3 m120 58.97 27.95 16.99 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.098 -1.001 . . . . 0.0 108.409 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.96 136.69 17.06 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.412 ' HA3' ' CE2' ' A' ' 91' ' ' PHE . . . -100.36 168.25 20.77 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.12 171.06 8.84 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.318 -1.107 . . . . 0.0 109.872 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 0.4 OUTLIER -169.89 89.42 0.17 Allowed 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -117.36 86.88 2.6 Favored 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.09 -1.006 . . . . 0.0 110.219 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.552 ' CE1' HD11 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -176.31 175.45 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.153 -0.967 . . . . 0.0 109.609 179.299 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.552 HD11 ' CE1' ' A' ' 21' ' ' HIS . 11.9 mt 72.34 -46.65 0.65 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.05 9.47 15.97 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.202 -0.936 . . . . 0.0 108.474 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 53.07 25.84 4.42 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -120.66 141.99 49.86 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.339 -0.851 . . . . 0.0 109.491 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' C ' ' HZ1' ' A' ' 10' ' ' LYS . 16.9 mt-10 -83.74 122.42 28.62 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.341 -0.849 . . . . 0.0 109.619 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.593 ' CA ' ' HZ1' ' A' ' 10' ' ' LYS . 3.1 mt-10 -129.24 157.65 41.25 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.206 -0.933 . . . . 0.0 109.598 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.436 ' HB2' ' HB2' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -130.13 101.3 5.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 3.4 ttmm -88.54 174.08 8.29 Favored 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.512 -0.742 . . . . 0.0 109.116 -179.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.497 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 15.2 m -85.6 162.43 18.85 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 120.918 -1.114 . . . . 0.0 109.325 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 15' ' ' ASN . 15.6 mt -77.99 -169.06 1.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.185 -0.947 . . . . 0.0 109.763 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.477 HD23 ' HA2' ' A' ' 55' ' ' GLY . 9.4 mt -70.0 154.51 41.85 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.322 -0.861 . . . . 0.0 109.586 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 57.44 16.72 3.39 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.319 -0.863 . . . . 0.0 109.546 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -126.47 114.16 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.215 -0.928 . . . . 0.0 109.411 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' CE ' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -93.13 -171.99 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.291 -0.88 . . . . 0.0 109.301 179.658 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -123.9 134.43 53.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.566 -0.709 . . . . 0.0 109.23 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -156.25 133.97 11.03 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.164 -0.96 . . . . 0.0 109.513 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.82 -91.2 0.26 Allowed Glycine 0 CA--C 1.529 0.929 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -149.62 -2.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.237 -1.155 . . . . 0.0 109.373 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -131.37 146.14 52.15 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.221 -0.924 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.5 m -74.46 144.09 44.38 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.236 -0.915 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.403 ' CG2' ' CE ' ' A' ' 35' ' ' LYS . 34.0 m -121.77 177.7 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 O-C-N 121.12 -0.987 . . . . 0.0 109.741 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -82.13 131.65 35.24 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 121.241 -0.912 . . . . 0.0 109.695 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.432 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 10.0 t30 -105.89 134.11 19.89 Favored Pre-proline 0 CA--C 1.534 0.336 0 O-C-N 121.333 -0.854 . . . . 0.0 109.417 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 19.6 Cg_endo -91.17 -15.29 1.58 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 124.783 3.656 . . . . 0.0 109.943 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -151.69 92.69 3.61 Favored Pre-proline 0 CA--C 1.534 0.343 0 O-C-N 121.439 -0.788 . . . . 0.0 109.215 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -89.65 143.59 4.39 Favored 'Trans proline' 0 N--CA 1.479 0.674 0 C-N-CA 125.251 3.967 . . . . 0.0 110.589 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.412 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 8.5 t -129.09 -163.56 1.3 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.272 -0.892 . . . . 0.0 109.354 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.6 m -111.91 -27.99 8.22 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.195 -0.94 . . . . 0.0 108.748 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -69.89 1.43 4.46 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.46 -0.775 . . . . 0.0 108.956 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CD ' ' H ' ' A' ' 48' ' ' THR . 9.6 pt-20 -99.77 51.15 0.92 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 42.07 73.14 0.14 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.248 0.547 . . . . 0.0 110.365 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 6.6 t-20 60.07 85.85 0.1 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.714 0.769 . . . . 0.0 109.192 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -95.13 44.25 2.18 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 107.993 -2.043 . . . . 0.0 107.993 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.477 ' HA2' HD23 ' A' ' 32' ' ' LEU . . . 129.42 -17.73 5.55 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 107.927 -2.069 . . . . 0.0 107.927 -178.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 57' ' ' ASP . 55.1 m -111.8 110.29 20.56 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 121.43 -1.041 . . . . 0.0 109.093 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 39.4 t0 -28.19 139.1 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 121.364 0.602 . . . . 0.0 111.924 -179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.3 -32.73 62.66 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.423 -0.798 . . . . 0.0 108.96 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -84.63 -11.45 55.93 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.376 -0.827 . . . . 0.0 109.081 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.3 157.57 15.84 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.221 -0.924 . . . . 0.0 109.64 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -84.87 168.81 14.73 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.269 -0.895 . . . . 0.0 109.435 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 49.1 t -134.34 152.72 51.97 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.313 -0.867 . . . . 0.0 109.475 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -142.88 142.25 31.72 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.227 -0.921 . . . . 0.0 109.27 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.02 2.67 3.38 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.249 -0.907 . . . . 0.0 109.326 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.23 166.95 0.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.416 -0.802 . . . . 0.0 109.445 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -55.08 142.29 31.18 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.254 -0.904 . . . . 0.0 109.471 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.4 m -167.18 -69.39 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.284 -0.885 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.6 -115.3 3.23 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 t -175.46 -122.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.208 -1.172 . . . . 0.0 109.486 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.7 t30 65.16 7.36 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.281 -0.887 . . . . 0.0 109.406 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.5 -61.45 4.73 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.544 ' H ' ' HD3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -85.54 77.17 9.92 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.333 -1.098 . . . . 0.0 109.44 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -79.18 105.9 10.83 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.293 -0.879 . . . . 0.0 109.219 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.7 mm -142.49 150.67 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 O-C-N 121.225 -0.922 . . . . 0.0 109.456 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -146.77 148.32 31.82 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.236 -0.915 . . . . 0.0 109.366 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 28.8 m -125.54 141.66 51.92 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.236 -0.915 . . . . 0.0 109.451 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -141.49 115.88 9.5 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.203 -0.936 . . . . 0.0 109.451 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 102.62 15.29 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.244 -0.91 . . . . 0.0 109.356 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.1 p -66.11 -11.81 51.43 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.325 -0.859 . . . . 0.0 109.631 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 167.44 4.19 Favored Pre-proline 0 C--N 1.329 -0.319 0 O-C-N 121.118 -0.989 . . . . 0.0 109.302 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.424 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 14.4 Cg_endo -88.4 -43.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.603 0 C-N-CA 125.228 3.952 . . . . 0.0 110.165 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.424 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -82.16 21.85 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.324 -0.86 . . . . 0.0 109.204 179.693 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.8 p -53.11 104.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.576 -0.702 . . . . 0.0 109.387 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.486 ' H ' ' H ' ' A' ' 93' ' ' SER . 5.3 m-85 -139.34 69.68 39.91 Favored Pre-proline 0 C--N 1.328 -0.358 0 O-C-N 121.408 -0.807 . . . . 0.0 109.211 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -31.37 141.59 0.04 OUTLIER 'Trans proline' 0 N--CA 1.481 0.752 1 C-N-CA 126.171 4.58 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.495 HD12 ' CB ' ' A' ' 91' ' ' PHE . 35.8 mt -103.3 -6.92 21.53 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.335 -0.853 . . . . 0.0 109.344 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.41 ' HB2' HD11 ' A' ' 90' ' ' ILE . 83.5 m-85 -152.01 -16.49 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.191 -0.943 . . . . 0.0 109.619 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.441 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER 167.46 -42.35 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 179.796 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.432 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . 167.98 9.31 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.798 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.3 pt -80.48 -12.29 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 O-C-N 121.193 -1.18 . . . . 0.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.798 ' CE2' HD12 ' A' ' 90' ' ' ILE . 52.8 m-85 -144.37 69.97 1.28 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.366 -0.834 . . . . 0.0 109.506 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 38.8 m -70.01 125.01 25.52 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.208 -0.932 . . . . 0.0 109.463 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.486 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -66.82 153.81 42.46 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.226 -0.921 . . . . 0.0 109.428 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 p -144.32 -56.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.235 -0.916 . . . . 0.0 109.499 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 28.3 t -89.0 95.06 10.17 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.298 -0.876 . . . . 0.0 109.558 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.499 179.903 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.582 HG22 ' H ' ' A' ' 4' ' ' GLN . 30.5 mm -85.4 152.76 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 O-C-N 121.224 -0.923 . . . . 0.0 109.431 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.44 28.32 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.27 -0.894 . . . . 0.0 109.419 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.582 ' H ' HG22 ' A' ' 2' ' ' ILE . 7.1 tt0 59.89 83.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.223 -0.923 . . . . 0.0 109.402 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -94.74 38.24 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.225 -0.922 . . . . 0.0 109.406 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.86 13.74 25.71 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.304 -0.872 . . . . 0.0 109.358 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.8 m 62.4 -167.16 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.236 -0.915 . . . . 0.0 109.424 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.0 t -102.39 -61.18 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 121.31 -0.869 . . . . 0.0 109.493 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -159.52 25.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.273 -0.892 . . . . 0.0 109.473 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -59.86 150.88 27.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.181 -0.949 . . . . 0.0 109.427 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -127.55 93.86 3.82 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.256 -0.903 . . . . 0.0 109.469 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 175.11 4.6 Favored Pre-proline 0 C--N 1.33 -0.259 0 O-C-N 121.317 -0.864 . . . . 0.0 109.345 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -89.44 167.73 5.14 Favored 'Trans proline' 0 N--CA 1.478 0.596 1 C-N-CA 125.541 4.161 . . . . 0.0 110.37 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.6 176.43 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.262 -0.899 . . . . 0.0 109.462 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.868 ' HA ' HD12 ' A' ' 31' ' ' LEU . 8.8 m-20 55.36 21.21 4.04 Favored 'General case' 0 C--N 1.332 -0.193 0 O-C-N 121.201 -0.937 . . . . 0.0 109.313 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 t -159.65 155.19 25.71 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.236 -0.915 . . . . 0.0 109.79 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.05 162.67 25.64 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -87.5 149.08 24.62 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.187 -1.184 . . . . 0.0 109.719 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 48.2 t80 -153.12 138.28 17.38 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.315 -0.866 . . . . 0.0 109.25 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -78.99 115.32 18.6 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.239 -0.913 . . . . 0.0 109.526 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.89 139.33 40.66 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.29 -0.881 . . . . 0.0 109.377 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 2.7 mm? -62.44 -11.11 13.97 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.287 -0.883 . . . . 0.0 109.261 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.71 34.73 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.344 -0.848 . . . . 0.0 109.487 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 59.34 33.64 22.54 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.22 -0.925 . . . . 0.0 109.518 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -123.16 -179.39 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.18 -0.95 . . . . 0.0 109.418 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -139.37 130.82 27.02 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.323 -0.861 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.09 164.37 37.4 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.185 -0.947 . . . . 0.0 109.54 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.7 m -106.61 114.48 28.62 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.278 -0.889 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -101.86 137.71 39.8 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.259 -0.901 . . . . 0.0 109.246 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.3 m -55.52 167.12 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 121.156 -0.965 . . . . 0.0 109.4 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.868 HD12 ' HA ' ' A' ' 15' ' ' ASN . 18.1 mt -79.8 -168.5 1.62 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.164 -0.96 . . . . 0.0 109.651 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD12 HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -69.98 155.48 40.52 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.314 -0.867 . . . . 0.0 109.548 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.4 m120 58.32 16.78 4.25 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.353 -0.842 . . . . 0.0 109.378 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 10.0 m-85 -128.37 116.58 19.99 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.408 -0.807 . . . . 0.0 109.237 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -101.11 -176.97 3.31 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.162 -0.961 . . . . 0.0 109.025 179.624 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -109.98 136.65 48.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.444 -0.785 . . . . 0.0 109.302 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -169.94 147.61 3.33 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.25 -0.906 . . . . 0.0 109.587 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.0 -122.56 30.07 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -119.45 15.57 12.94 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.224 -1.163 . . . . 0.0 109.618 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -159.82 156.74 27.99 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.173 -0.954 . . . . 0.0 109.388 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.4 m -73.52 134.67 43.89 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.111 -0.993 . . . . 0.0 109.508 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.412 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 18.6 m -105.87 -179.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 O-C-N 121.247 -0.908 . . . . 0.0 109.647 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -76.46 144.42 39.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.439 -0.788 . . . . 0.0 109.754 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -127.5 75.81 77.24 Favored Pre-proline 0 CA--C 1.532 0.275 0 O-C-N 121.468 -0.77 . . . . 0.0 109.269 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -31.54 -36.25 0.05 OUTLIER 'Trans proline' 0 N--CA 1.483 0.856 1 C-N-CA 125.96 4.44 . . . . 0.0 111.289 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.02 91.45 8.03 Favored Pre-proline 0 CA--C 1.533 0.326 0 O-C-N 121.11 -0.994 . . . . 0.0 109.619 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -51.9 175.5 0.07 OUTLIER 'Trans proline' 0 N--CA 1.485 1.014 0 C-N-CA 124.041 3.161 . . . . 0.0 109.642 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.878 HG21 ' CG ' ' A' ' 51' ' ' GLU . 6.6 t -130.3 -166.06 1.63 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.036 -1.04 . . . . 0.0 109.732 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.9 m -148.8 -37.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -65.86 -5.66 9.78 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.546 -0.721 . . . . 0.0 109.079 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.878 ' CG ' HG21 ' A' ' 48' ' ' THR . 34.5 mm-40 -92.89 49.85 1.49 Allowed 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.147 -0.971 . . . . 0.0 108.61 179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.4 ' O ' ' CB ' ' A' ' 53' ' ' ASN . 6.4 p30 40.98 69.79 0.31 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.064 0.459 . . . . 0.0 110.413 -179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 52' ' ' ASN . 0.8 OUTLIER 70.81 83.06 0.15 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.623 0.725 . . . . 0.0 109.354 -179.664 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.8 -23.82 31.3 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 108.604 -1.798 . . . . 0.0 108.604 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.428 ' H ' ' H ' ' A' ' 56' ' ' CYS . . . 162.75 11.71 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 107.481 -2.248 . . . . 0.0 107.481 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.53 ' O ' ' O ' ' A' ' 57' ' ' ASP . 61.1 m -95.68 69.76 2.97 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 118.958 -1.097 . . . . 0.0 110.43 -179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.545 ' HB3' ' H ' ' A' ' 60' ' ' ALA . 6.1 t0 39.28 120.71 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 122.292 1.044 . . . . 0.0 112.903 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.43 -17.53 1.25 Allowed 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.74 -1.225 . . . . 0.0 109.968 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -17.18 15.38 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.164 -0.96 . . . . 0.0 109.526 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.545 ' H ' ' HB3' ' A' ' 57' ' ' ASP . . . -87.53 170.41 11.35 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 121.084 -1.01 . . . . 0.0 109.651 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HD3' ' H ' ' A' ' 62' ' ' CYS . 0.0 OUTLIER -95.55 176.48 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.325 -0.859 . . . . 0.0 109.327 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.418 ' H ' ' HD3' ' A' ' 61' ' ' LYS . 3.3 t -134.08 136.0 43.64 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 121.304 -0.873 . . . . 0.0 109.391 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.63 140.11 52.3 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.181 -0.95 . . . . 0.0 109.471 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.04 18.27 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.289 -0.882 . . . . 0.0 109.768 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -53.46 123.74 12.89 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.34 -0.85 . . . . 0.0 109.718 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.3 169.75 3.42 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.325 -0.86 . . . . 0.0 109.467 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 t -148.57 -5.27 0.43 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.321 -0.862 . . . . 0.0 109.417 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.68 -116.04 0.4 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.4 160.11 20.34 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.205 -1.174 . . . . 0.0 109.464 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m120 55.43 62.39 2.48 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.339 -0.85 . . . . 0.0 109.561 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.67 109.06 0.93 Allowed Glycine 0 CA--C 1.529 0.92 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.47 155.0 20.71 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.193 -1.181 . . . . 0.0 109.353 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -113.92 123.69 50.37 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.187 -0.946 . . . . 0.0 109.671 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.8 mm -112.33 153.13 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 121.301 -0.874 . . . . 0.0 109.175 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.5 m -157.56 156.75 32.49 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.144 -0.972 . . . . 0.0 109.725 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.2 m -112.24 135.18 53.24 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.355 -0.841 . . . . 0.0 109.142 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -128.06 92.12 3.4 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.154 -0.966 . . . . 0.0 109.577 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 18.8 m -57.37 131.83 51.25 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.249 -0.907 . . . . 0.0 109.872 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 t -84.89 21.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.352 -0.842 . . . . 0.0 108.846 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.09 169.24 14.3 Favored Pre-proline 0 C--N 1.331 -0.219 0 O-C-N 121.418 -0.802 . . . . 0.0 109.161 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -83.56 126.78 4.19 Favored 'Trans proline' 0 N--CA 1.479 0.621 0 C-N-CA 124.79 3.66 . . . . 0.0 109.228 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.9 t70 72.63 -52.64 0.7 Allowed 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.38 139.97 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.571 -0.706 . . . . 0.0 109.835 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -148.01 68.16 10.39 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 121.105 -0.997 . . . . 0.0 109.277 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -33.6 125.83 0.15 Allowed 'Trans proline' 0 N--CA 1.481 0.763 1 C-N-CA 126.055 4.504 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.617 HD21 ' O ' ' A' ' 93' ' ' SER . 84.6 mt -75.08 -30.38 60.92 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.459 ' CG ' HD11 ' A' ' 90' ' ' ILE . 61.9 m-85 -128.55 -105.19 0.31 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -115.22 23.73 12.23 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.351 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 121.37 -19.57 8.58 Favored Glycine 0 CA--C 1.531 1.059 0 C-N-CA 119.567 -1.301 . . . . 0.0 110.55 179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.758 ' CD1' HD23 ' A' ' 31' ' ' LEU . 4.3 pt -54.96 -32.48 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 O-C-N 121.092 -1.24 . . . . 0.0 109.235 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.586 ' CB ' HD12 ' A' ' 86' ' ' LEU . 17.3 m-85 -128.59 -176.32 3.8 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.328 -0.858 . . . . 0.0 108.917 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -166.6 44.95 0.06 Allowed 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.416 -0.802 . . . . 0.0 109.16 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.617 ' O ' HD21 ' A' ' 86' ' ' LEU . 23.0 t -124.41 -166.08 1.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.105 -0.997 . . . . 0.0 109.57 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -102.18 175.62 5.46 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.188 -0.945 . . . . 0.0 109.505 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -110.18 -142.79 0.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.229 -0.919 . . . . 0.0 109.459 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 117.933 -1.032 . . . . 0.0 109.324 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.92 -21.61 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.239 -0.913 . . . . 0.0 109.361 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.2 40.12 18.45 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.26 -0.9 . . . . 0.0 109.52 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.402 ' C ' ' H ' ' A' ' 6' ' ' GLN . 38.9 mt-30 57.82 -127.23 1.64 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.243 -0.91 . . . . 0.0 109.433 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 69.66 -8.56 0.76 Allowed 'General case' 0 N--CA 1.466 0.366 0 O-C-N 121.487 -0.758 . . . . 0.0 110.026 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.402 ' H ' ' C ' ' A' ' 4' ' ' GLN . 5.3 mm100 -68.89 -20.08 64.24 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 120.984 -1.073 . . . . 0.0 109.56 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 10' ' ' LYS . 38.0 m 58.09 179.02 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.233 -0.917 . . . . 0.0 109.434 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.771 HG13 ' OE1' ' A' ' 26' ' ' GLU . 5.4 m -106.23 17.45 6.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 O-C-N 121.259 -0.901 . . . . 0.0 109.186 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt 64.0 76.55 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.377 -0.827 . . . . 0.0 109.444 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HZ3' ' HB3' ' A' ' 7' ' ' CYS . 0.3 OUTLIER -102.04 -11.16 19.1 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.08 -1.013 . . . . 0.0 109.049 179.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 66.5 83.24 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.45 -0.781 . . . . 0.0 109.833 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 m -85.97 174.99 4.88 Favored Pre-proline 0 CA--C 1.531 0.237 0 O-C-N 121.113 -0.992 . . . . 0.0 109.045 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -88.2 161.09 7.06 Favored 'Trans proline' 0 N--CA 1.478 0.575 1 C-N-CA 125.39 4.06 . . . . 0.0 110.507 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -55.33 176.99 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.236 -0.915 . . . . 0.0 109.614 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 55.24 23.15 5.25 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.191 -0.943 . . . . 0.0 109.036 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -161.18 159.12 28.49 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.316 -0.865 . . . . 0.0 109.617 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.67 158.5 27.06 Favored Glycine 0 CA--C 1.531 1.06 0 N-CA-C 109.292 -1.523 . . . . 0.0 109.292 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.73 155.07 26.91 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.24 -1.153 . . . . 0.0 109.592 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.488 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 31.2 t80 -162.65 134.93 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.336 -0.852 . . . . 0.0 109.45 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -78.37 112.44 15.39 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.347 -0.845 . . . . 0.0 109.232 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.48 136.68 37.68 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.435 -0.79 . . . . 0.0 109.653 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 22' ' ' LEU . 4.5 mm? -60.14 -14.27 16.28 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.335 -0.853 . . . . 0.0 109.287 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.41 29.82 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 O-C-N 121.271 -0.893 . . . . 0.0 109.461 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 64.54 33.03 11.22 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.374 -0.828 . . . . 0.0 109.679 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.21 -178.18 3.8 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.244 -0.91 . . . . 0.0 109.43 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.771 ' OE1' HG13 ' A' ' 8' ' ' VAL . 34.5 mt-10 -143.38 135.69 27.08 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.291 -0.88 . . . . 0.0 109.452 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -164.6 162.43 21.57 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.164 -0.96 . . . . 0.0 109.621 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 85.0 m -105.36 112.57 25.73 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.283 -0.885 . . . . 0.0 109.315 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.73 141.49 29.89 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.249 -0.907 . . . . 0.0 108.818 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 4.6 m -52.98 165.34 0.31 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.225 -0.922 . . . . 0.0 109.927 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 90' ' ' ILE . 48.5 mt -76.47 -165.67 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.213 -0.929 . . . . 0.0 110.232 -179.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.527 ' HG ' HG22 ' A' ' 90' ' ' ILE . 3.3 mt -70.46 153.8 42.56 Favored 'General case' 0 C--N 1.332 -0.172 0 O-C-N 121.455 -0.778 . . . . 0.0 109.868 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 m120 54.09 20.34 2.46 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.305 -0.872 . . . . 0.0 109.697 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.448 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 11.8 m-85 -125.1 116.65 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.167 -0.958 . . . . 0.0 109.234 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.59 -171.72 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.132 -0.98 . . . . 0.0 109.306 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.39 143.2 36.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.585 -0.697 . . . . 0.0 109.414 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -157.37 121.27 4.2 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.175 -0.953 . . . . 0.0 109.39 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 61.21 -103.59 0.56 Allowed Glycine 0 CA--C 1.529 0.944 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.42 2.99 5.09 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.252 -1.146 . . . . 0.0 109.489 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 142.86 47.99 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.178 -0.951 . . . . 0.0 109.365 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.9 m -71.85 142.02 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.243 -0.911 . . . . 0.0 109.23 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -114.44 179.96 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 O-C-N 121.2 -0.937 . . . . 0.0 109.555 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -77.63 135.64 38.14 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.223 -0.923 . . . . 0.0 109.569 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.8 t-20 -116.41 124.85 29.04 Favored Pre-proline 0 CA--C 1.537 0.464 0 O-C-N 121.238 -0.914 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 18.1 Cg_endo -92.2 -16.28 1.09 Allowed 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 124.773 3.649 . . . . 0.0 110.345 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.437 HD21 ' HD2' ' A' ' 72' ' ' LYS . 2.3 t-20 -129.28 97.61 25.23 Favored Pre-proline 0 CA--C 1.534 0.36 0 O-C-N 121.289 -0.882 . . . . 0.0 109.755 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -89.84 176.59 2.78 Favored 'Trans proline' 0 N--CA 1.478 0.572 0 C-N-CA 125.254 3.969 . . . . 0.0 109.813 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.816 HG21 ' HG3' ' A' ' 51' ' ' GLU . 10.3 t -153.07 -152.41 0.42 Allowed 'General case' 0 CA--C 1.533 0.307 0 O-C-N 120.93 -1.106 . . . . 0.0 110.311 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.605 ' N ' HG23 ' A' ' 48' ' ' THR . 85.3 m -150.0 -43.9 0.13 Allowed 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -67.61 2.55 1.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.558 -0.714 . . . . 0.0 110.022 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.816 ' HG3' HG21 ' A' ' 48' ' ' THR . 44.5 mt-10 -103.31 58.5 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 120.981 -1.075 . . . . 0.0 108.724 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 p30 41.06 72.51 0.16 Allowed 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.163 0.506 . . . . 0.0 110.757 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.45 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 11.1 t-20 59.75 84.87 0.11 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.665 0.745 . . . . 0.0 109.314 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.13 -35.75 89.24 Favored Glycine 0 CA--C 1.52 0.349 0 N-CA-C 107.676 -2.169 . . . . 0.0 107.676 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.458 ' HA3' HD23 ' A' ' 32' ' ' LEU . . . -159.18 -4.45 0.06 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 107.379 -2.288 . . . . 0.0 107.379 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ASP . 96.5 m -111.62 119.24 38.02 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.635 -0.921 . . . . 0.0 109.419 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.468 ' HB3' ' HB2' ' A' ' 60' ' ' ALA . 24.4 t0 -27.43 138.89 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 CA-C-O 121.433 0.635 . . . . 0.0 111.934 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.61 -32.7 59.22 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 121.352 -0.842 . . . . 0.0 109.094 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' OD1' HD11 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -86.68 -11.46 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.322 -0.861 . . . . 0.0 109.041 179.701 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . . . -85.76 149.26 25.4 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.284 -0.885 . . . . 0.0 109.376 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -78.88 105.22 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.238 -0.913 . . . . 0.0 109.205 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.1 t -83.91 125.39 31.96 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.359 -0.838 . . . . 0.0 109.424 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.08 141.29 52.12 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.222 -0.924 . . . . 0.0 109.536 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -151.88 -2.79 0.29 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.237 -0.914 . . . . 0.0 109.699 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -88.64 177.34 6.78 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 121.159 -0.963 . . . . 0.0 109.509 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 t70 55.52 17.28 2.18 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.275 -0.891 . . . . 0.0 110.023 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.1 t -161.26 74.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.178 -0.951 . . . . 0.0 109.474 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.7 86.82 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.9 t -130.28 -91.26 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.33 -1.1 . . . . 0.0 109.451 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -92.0 36.95 0.97 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.205 -0.934 . . . . 0.0 109.443 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 144.93 113.91 0.89 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' HD2' HD21 ' A' ' 46' ' ' ASN . 0.1 OUTLIER -55.04 130.87 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.293 -1.122 . . . . 0.0 109.372 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -105.89 125.29 50.81 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.255 -0.903 . . . . 0.0 109.466 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.2 mm -113.66 148.1 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 O-C-N 121.281 -0.887 . . . . 0.0 109.203 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.73 150.33 36.05 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.139 -0.976 . . . . 0.0 109.651 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.4 m -120.34 132.22 55.19 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.368 -0.832 . . . . 0.0 109.117 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -134.56 94.32 3.18 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.153 -0.967 . . . . 0.0 109.733 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.6 m -61.15 119.55 8.6 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.208 -0.933 . . . . 0.0 109.408 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 t -76.52 13.32 1.0 Allowed 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.314 -0.866 . . . . 0.0 109.65 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -83.0 168.47 22.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 O-C-N 121.227 -0.921 . . . . 0.0 109.166 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -82.8 128.05 5.06 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 124.86 3.707 . . . . 0.0 109.289 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 72.28 -52.1 0.7 Allowed 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.403 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.3 OUTLIER 61.58 155.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.475 -0.766 . . . . 0.0 110.315 179.116 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.654 ' H ' ' H ' ' A' ' 93' ' ' SER . 56.0 m-85 -152.31 105.27 2.77 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -86.11 123.92 2.41 Favored 'Trans proline' 0 N--CA 1.478 0.596 0 C-N-CA 124.84 3.693 . . . . 0.0 110.246 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 94' ' ' SER . 1.8 mt -82.85 -23.08 33.86 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.578 ' CD2' HD11 ' A' ' 90' ' ' ILE . 74.1 m-85 -128.19 -112.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.48 28.92 8.39 Favored 'General case' 0 C--N 1.317 -0.827 0 O-C-N 121.569 -0.707 . . . . 0.0 109.9 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 111.86 -9.83 27.56 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 119.608 -1.282 . . . . 0.0 110.375 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.578 HD11 ' CD2' ' A' ' 87' ' ' PHE . 0.3 OUTLIER -55.5 -30.22 25.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 O-C-N 121.062 -1.258 . . . . 0.0 108.762 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.488 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 23.4 m-85 -132.4 161.54 33.37 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.368 -0.833 . . . . 0.0 108.886 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 33.5 m -135.84 162.0 34.04 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.141 -0.974 . . . . 0.0 109.282 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.654 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.3 OUTLIER 66.85 131.04 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.442 -0.786 . . . . 0.0 109.463 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.429 ' HB3' HD21 ' A' ' 86' ' ' LEU . 3.2 p -161.73 -176.5 5.31 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.194 -0.942 . . . . 0.0 109.429 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 44.3 t -119.26 153.03 35.66 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.301 -0.874 . . . . 0.0 109.416 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.459 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 . . . . . 0 CA--C 1.531 0.23 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.411 ' N ' HD13 ' A' ' 2' ' ' ILE . 9.4 mm 58.99 67.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 O-C-N 121.245 -0.909 . . . . 0.0 109.376 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 t -125.98 -136.2 0.26 Allowed 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.232 -0.918 . . . . 0.0 109.428 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 65.53 148.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.29 -0.881 . . . . 0.0 109.453 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.83 ' HB2' HD11 ' A' ' 86' ' ' LEU . 2.2 m170 55.09 36.26 26.56 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.303 -0.873 . . . . 0.0 109.285 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -108.92 -0.43 19.7 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.36 -0.838 . . . . 0.0 109.235 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.5 m 63.23 172.35 0.16 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.306 -0.871 . . . . 0.0 109.493 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.95 127.69 68.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 121.304 -0.873 . . . . 0.0 109.369 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 58.37 38.66 25.83 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.282 -0.886 . . . . 0.0 109.397 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HG3' ' H ' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -95.68 -161.61 0.88 Allowed 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.273 -0.892 . . . . 0.0 109.462 -179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.464 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -143.31 19.88 1.9 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.318 -0.864 . . . . 0.0 109.348 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 t -54.55 114.18 6.38 Favored Pre-proline 0 CA--C 1.54 0.565 0 O-C-N 121.304 -0.873 . . . . 0.0 109.183 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -84.41 -174.71 1.9 Allowed 'Trans proline' 0 N--CA 1.483 0.889 0 C-N-CA 124.786 3.657 . . . . 0.0 110.951 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -68.13 176.62 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.521 -0.737 . . . . 0.0 109.386 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.656 ' HA ' HD12 ' A' ' 31' ' ' LEU . 5.6 m120 55.18 22.99 5.01 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.214 -0.929 . . . . 0.0 108.868 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.5 p -163.45 127.14 2.77 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.5 -0.75 . . . . 0.0 109.219 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -97.84 149.86 19.31 Favored Glycine 0 CA--C 1.531 1.065 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -81.54 168.86 17.78 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.187 -1.184 . . . . 0.0 109.365 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -158.2 153.93 26.49 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 6.5 ttp180 179.19 -144.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 5' ' ' HIS . 19.7 m-70 59.86 4.71 0.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.466 -0.771 . . . . 0.0 110.89 178.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.1 mt -120.38 7.11 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 120.92 -1.113 . . . . 0.0 108.371 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' H ' ' H ' ' A' ' 24' ' ' GLU . 44.9 p-10 -179.37 9.72 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' H ' ' H ' ' A' ' 23' ' ' ASP . 0.3 OUTLIER 67.82 9.13 6.9 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.959 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' N ' ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -177.55 52.63 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 O-C-N 121.072 -1.017 . . . . 0.0 109.935 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 20' ' ' ARG . 69.5 mm-40 -55.54 -90.06 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.406 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 170.78 -178.11 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.273 0 O-C-N 121.676 -0.64 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.7 t -107.94 108.24 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.319 -0.863 . . . . 0.0 108.877 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -87.48 161.25 17.92 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.232 -0.917 . . . . 0.0 109.237 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.432 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 39.7 m -77.71 164.85 24.9 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 120.977 -1.077 . . . . 0.0 109.274 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.913 HD21 ' CE1' ' A' ' 87' ' ' PHE . 4.8 mt -72.21 -170.77 0.66 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.181 -0.949 . . . . 0.0 109.759 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.573 ' HG ' HD13 ' A' ' 90' ' ' ILE . 5.7 mt -73.29 152.85 40.81 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.273 -0.892 . . . . 0.0 109.208 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 58.76 16.66 4.59 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.182 -0.949 . . . . 0.0 109.315 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.403 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 10.5 m-85 -123.01 113.56 19.22 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.404 -0.81 . . . . 0.0 109.205 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -98.63 -179.98 4.49 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.171 -0.955 . . . . 0.0 109.159 179.809 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -98.13 141.11 31.47 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.305 -0.872 . . . . 0.0 109.653 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.36 126.03 1.91 Allowed 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.16 -0.962 . . . . 0.0 109.437 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.26 8.87 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -123.57 13.75 9.42 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.25 -1.147 . . . . 0.0 109.405 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.1 147.75 30.91 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.248 -0.907 . . . . 0.0 109.107 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 33.1 m -75.3 127.44 33.17 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.104 -0.997 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.469 HG22 ' HG3' ' A' ' 35' ' ' LYS . 2.5 m -99.28 -179.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 O-C-N 121.101 -0.999 . . . . 0.0 109.786 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -77.23 140.13 40.03 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.572 -0.705 . . . . 0.0 109.651 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -129.87 68.12 80.31 Favored Pre-proline 0 C--N 1.331 -0.204 0 O-C-N 121.327 -0.858 . . . . 0.0 109.476 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -33.41 -34.32 0.06 OUTLIER 'Trans proline' 0 N--CA 1.482 0.802 1 C-N-CA 126.019 4.479 . . . . 0.0 110.856 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -123.45 89.35 51.19 Favored Pre-proline 0 CA--C 1.532 0.284 0 O-C-N 121.144 -0.973 . . . . 0.0 109.746 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -90.13 173.5 3.37 Favored 'Trans proline' 0 N--CA 1.478 0.609 1 C-N-CA 125.455 4.103 . . . . 0.0 110.073 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.648 HG23 ' HG2' ' A' ' 51' ' ' GLU . 12.8 t -153.32 -175.67 5.45 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.099 -1.0 . . . . 0.0 109.827 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 57.8 m -108.0 -29.9 8.75 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -56.87 -18.27 12.51 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.401 -0.812 . . . . 0.0 108.914 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.648 ' HG2' HG23 ' A' ' 48' ' ' THR . 6.4 pt-20 -74.19 65.9 1.21 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 41.82 54.28 3.91 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.204 0.526 . . . . 0.0 111.205 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.495 HD22 ' HA ' ' A' ' 58' ' ' ALA . 7.0 t30 61.59 66.66 0.83 Allowed 'General case' 0 N--CA 1.462 0.146 0 O-C-N 120.984 -1.073 . . . . 0.0 108.916 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.13 -50.47 5.12 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 108.896 -1.682 . . . . 0.0 108.896 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -76.48 -20.52 76.73 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.424 ' HB3' HD21 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -112.28 145.66 39.59 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 121.069 -1.253 . . . . 0.0 110.462 -179.753 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.471 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -52.77 -91.19 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 O-C-N 121.443 -0.786 . . . . 0.0 109.839 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.495 ' HA ' HD22 ' A' ' 53' ' ' ASN . . . -151.04 -25.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.339 -0.851 . . . . 0.0 109.427 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.63 -13.85 13.24 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.227 -0.921 . . . . 0.0 109.563 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 171.56 9.07 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.163 -0.961 . . . . 0.0 109.536 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.4 121.1 41.32 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.303 -0.873 . . . . 0.0 109.431 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.98 147.97 23.45 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.247 -0.908 . . . . 0.0 109.432 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.84 152.21 26.57 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.186 -0.946 . . . . 0.0 109.662 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.61 0.47 5.52 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.252 -0.905 . . . . 0.0 109.519 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -71.93 133.47 45.41 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.263 -0.898 . . . . 0.0 109.461 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 t0 52.92 -156.91 0.16 Allowed 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.463 -0.773 . . . . 0.0 109.745 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.5 m 56.4 64.65 1.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.289 -0.882 . . . . 0.0 109.391 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.32 145.44 16.91 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.5 -74.44 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.218 -1.166 . . . . 0.0 109.495 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -59.65 -38.66 82.05 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.185 -0.947 . . . . 0.0 109.347 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 165.15 -60.85 0.24 Allowed Glycine 0 CA--C 1.529 0.92 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.93 128.33 33.76 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.218 -1.166 . . . . 0.0 109.471 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.37 105.33 15.57 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.25 -0.906 . . . . 0.0 109.299 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.4 mm -143.86 133.56 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 O-C-N 121.286 -0.884 . . . . 0.0 109.423 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 160.29 38.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.227 -0.921 . . . . 0.0 109.536 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.2 m -152.22 147.35 26.29 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.311 -0.868 . . . . 0.0 109.666 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -147.29 104.15 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.262 -0.899 . . . . 0.0 109.38 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.0 m -69.36 131.6 45.08 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.296 -0.877 . . . . 0.0 109.429 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 79' ' ' THR . 6.4 t -93.13 28.39 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.229 -0.919 . . . . 0.0 109.375 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -84.16 151.55 60.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 O-C-N 121.244 -0.91 . . . . 0.0 109.178 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.44 ' HB2' ' H ' ' A' ' 82' ' ' ASP . 3.5 Cg_exo -38.61 -93.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.482 0.846 0 C-N-CA 125.112 3.875 . . . . 0.0 109.994 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.44 ' H ' ' HB2' ' A' ' 81' ' ' PRO . 3.6 t0 -83.92 -8.39 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 120.724 -1.235 . . . . 0.0 107.791 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.6 OUTLIER 61.52 151.94 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 109.946 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.412 ' CD2' ' O ' ' A' ' 83' ' ' SER . 61.7 m-85 -155.04 88.18 3.22 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 120.994 -1.066 . . . . 0.0 108.862 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -90.12 133.0 1.94 Allowed 'Trans proline' 0 N--CA 1.476 0.454 1 C-N-CA 125.707 4.272 . . . . 0.0 110.7 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.83 HD11 ' HB2' ' A' ' 5' ' ' HIS . 98.7 mt -79.7 -9.08 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.913 ' CE1' HD21 ' A' ' 31' ' ' LEU . 86.4 m-85 -149.84 -113.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -105.18 21.88 16.35 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.446 -0.784 . . . . 0.0 109.957 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.51 48.12 0.76 Allowed Glycine 0 CA--C 1.53 0.979 0 C-N-CA 119.538 -1.315 . . . . 0.0 110.402 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.689 HD12 ' HE2' ' A' ' 91' ' ' PHE . 0.7 OUTLIER -127.57 7.48 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 121.118 -1.225 . . . . 0.0 109.186 179.246 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.689 ' HE2' HD12 ' A' ' 90' ' ' ILE . 96.8 m-85 -148.13 22.18 1.08 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.232 -0.917 . . . . 0.0 109.437 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.6 134.42 41.28 Favored 'General case' 0 CA--C 1.531 0.236 0 O-C-N 121.331 -0.855 . . . . 0.0 109.599 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.48 169.79 18.2 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.176 -0.953 . . . . 0.0 109.574 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.3 t -104.22 59.66 0.72 Allowed 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.266 -0.896 . . . . 0.0 109.313 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.1 t -103.29 140.99 36.68 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.221 -0.925 . . . . 0.0 109.31 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.466 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 64.36 150.19 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 O-C-N 121.317 -0.864 . . . . 0.0 109.423 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -162.39 -112.54 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 O-C-N 121.208 -0.932 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 62.32 103.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.209 -0.932 . . . . 0.0 109.431 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 55.22 29.03 12.03 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.277 -0.889 . . . . 0.0 109.415 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -103.22 148.49 25.74 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.224 -0.923 . . . . 0.0 109.458 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.9 m -89.97 178.53 6.18 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.244 -0.91 . . . . 0.0 109.434 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.439 HG23 ' H ' ' A' ' 9' ' ' LYS . 3.2 m -105.03 -110.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 O-C-N 121.179 -0.951 . . . . 0.0 109.366 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' H ' HG23 ' A' ' 8' ' ' VAL . 2.2 ptmm? -96.5 14.44 24.62 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.22 -0.925 . . . . 0.0 109.316 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' CG ' ' H ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -59.98 -179.46 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.241 -0.912 . . . . 0.0 109.409 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.453 ' H ' ' CG ' ' A' ' 10' ' ' LYS . 1.6 pt20 -141.92 135.93 29.92 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.21 -0.931 . . . . 0.0 109.661 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -127.32 138.37 32.63 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -81.12 -174.61 2.29 Favored 'Trans proline' 0 N--CA 1.483 0.872 0 C-N-CA 124.21 3.273 . . . . 0.0 110.926 -179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.29 172.26 12.76 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.873 ' HA ' HD12 ' A' ' 31' ' ' LEU . 3.6 m-20 56.01 21.76 5.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.094 -1.004 . . . . 0.0 108.769 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 p -157.27 137.41 12.67 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.45 -0.781 . . . . 0.0 109.263 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -111.36 165.47 12.14 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 t -89.98 160.91 16.13 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.155 -1.203 . . . . 0.0 109.744 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -170.01 140.06 1.95 Allowed 'General case' 0 C--N 1.331 -0.206 0 O-C-N 121.283 -0.886 . . . . 0.0 109.338 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -92.02 116.25 28.76 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.187 -0.946 . . . . 0.0 109.294 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.407 ' CG ' ' HG2' ' A' ' 25' ' ' ARG . 7.9 m170 -54.25 140.71 32.01 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.33 -0.856 . . . . 0.0 109.377 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 22' ' ' LEU . 6.7 mp -67.54 -2.22 6.24 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.298 -0.876 . . . . 0.0 109.367 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.47 33.39 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.281 -0.887 . . . . 0.0 109.228 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.18 61.97 2.16 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.285 -0.884 . . . . 0.0 109.498 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HG2' ' CG ' ' A' ' 21' ' ' HIS . 0.2 OUTLIER -150.94 124.97 9.26 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.219 -0.926 . . . . 0.0 109.132 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -87.92 118.69 27.64 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.124 -0.985 . . . . 0.0 109.798 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.84 165.41 31.59 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.275 -0.891 . . . . 0.0 109.369 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.49 125.53 44.38 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.279 -0.888 . . . . 0.0 108.86 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 -179.22 4.49 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 121.446 -0.784 . . . . 0.0 109.706 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.411 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 8.4 m -83.35 166.48 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.289 -0.882 . . . . 0.0 109.926 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.873 HD12 ' HA ' ' A' ' 15' ' ' ASN . 16.4 mt -76.49 -167.21 0.76 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.364 -0.835 . . . . 0.0 109.807 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.532 ' CD1' HG22 ' A' ' 90' ' ' ILE . 1.1 mt -73.43 151.98 40.94 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.296 -0.878 . . . . 0.0 109.386 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 58.22 17.4 4.6 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.29 -0.882 . . . . 0.0 109.319 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.411 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 11.6 m-85 -124.88 116.96 23.05 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.419 -0.801 . . . . 0.0 109.087 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.547 ' HZ3' ' HB2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -96.46 -176.59 3.67 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -122.49 138.71 54.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.506 -0.746 . . . . 0.0 109.299 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -155.08 87.91 1.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.107 -0.996 . . . . 0.0 109.699 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.01 -104.27 2.43 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.89 2.78 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.238 -1.154 . . . . 0.0 109.575 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 pttt -137.19 145.85 44.19 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.207 -0.933 . . . . 0.0 109.424 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.4 m -86.47 139.92 30.43 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.227 -0.92 . . . . 0.0 109.543 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.47 -179.43 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 O-C-N 121.279 -0.888 . . . . 0.0 109.484 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.35 142.28 48.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.265 -0.897 . . . . 0.0 109.398 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -120.84 128.87 25.56 Favored Pre-proline 0 CA--C 1.537 0.453 0 O-C-N 121.179 -0.95 . . . . 0.0 109.447 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -92.17 -16.64 1.04 Allowed 'Trans proline' 0 N--CA 1.478 0.608 0 C-N-CA 124.76 3.64 . . . . 0.0 110.029 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -145.39 97.99 4.66 Favored Pre-proline 0 CA--C 1.534 0.327 0 O-C-N 121.347 -0.845 . . . . 0.0 109.153 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -88.09 123.19 1.64 Allowed 'Trans proline' 0 N--CA 1.478 0.599 0 C-N-CA 125.064 3.843 . . . . 0.0 110.646 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 49' ' ' CYS . 54.9 m -89.87 163.25 15.08 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 121.399 -0.813 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.519 ' N ' HG22 ' A' ' 48' ' ' THR . 98.5 m -112.78 -38.45 4.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.197 -0.939 . . . . 0.0 108.574 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.38 -8.07 5.43 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -81.88 -164.09 0.75 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -79.64 64.93 4.65 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.049 -1.032 . . . . 0.0 108.85 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 60.2 83.48 0.14 Allowed 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.19 -35.81 55.7 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 108.291 -1.924 . . . . 0.0 108.291 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.447 ' H ' ' H ' ' A' ' 56' ' ' CYS . . . -169.89 -1.09 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 107.562 -2.215 . . . . 0.0 107.562 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.447 ' H ' ' H ' ' A' ' 55' ' ' GLY . 75.2 m -112.29 122.59 48.16 Favored 'General case' 0 CA--C 1.529 0.151 0 O-C-N 121.583 -0.951 . . . . 0.0 109.051 179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 56' ' ' CYS . 0.0 OUTLIER -25.83 127.25 0.05 OUTLIER 'General case' 0 N--CA 1.479 0.992 0 CA-C-O 121.351 0.595 . . . . 0.0 111.855 -179.005 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.43 -25.41 15.88 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.577 -0.702 . . . . 0.0 109.747 -179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.482 ' OD1' HD21 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -98.6 -3.67 35.71 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 121.208 -0.932 . . . . 0.0 109.685 -179.75 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . . . -89.08 167.13 13.39 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.087 -1.008 . . . . 0.0 109.716 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -88.83 120.13 29.95 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.289 -0.882 . . . . 0.0 108.813 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.6 t -92.04 148.34 22.26 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.226 -0.921 . . . . 0.0 109.931 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.611 ' OG1' HG23 ' A' ' 75' ' ' THR . 0.5 OUTLIER -143.08 140.27 30.83 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.243 -0.911 . . . . 0.0 109.272 179.49 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.51 0.91 3.36 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.371 -0.831 . . . . 0.0 109.542 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -89.82 63.42 6.07 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.233 -0.917 . . . . 0.0 109.451 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.35 -166.82 2.65 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.215 -0.928 . . . . 0.0 109.37 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.9 p -178.44 133.62 0.14 Allowed 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.202 -0.936 . . . . 0.0 109.418 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 151.25 31.68 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.9 m -120.58 -96.62 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.306 -1.114 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -146.04 -22.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.317 -0.864 . . . . 0.0 109.235 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -174.89 -94.13 0.09 OUTLIER Glycine 0 CA--C 1.529 0.95 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 115.75 4.49 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.242 -1.152 . . . . 0.0 109.297 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.66 106.34 18.27 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.196 -0.94 . . . . 0.0 109.501 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.545 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.4 mm -145.58 107.76 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 O-C-N 121.245 -0.91 . . . . 0.0 109.339 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.611 HG23 ' OG1' ' A' ' 63' ' ' THR . 1.5 t -113.8 168.97 9.34 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.108 -0.995 . . . . 0.0 109.882 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.2 m -127.85 156.99 41.67 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.524 -0.735 . . . . 0.0 109.302 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -159.47 91.79 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.266 -0.896 . . . . 0.0 109.413 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 83' ' ' SER . 72.1 m -54.14 135.21 43.99 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.229 -0.919 . . . . 0.0 109.264 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.8 t -90.59 -19.57 23.56 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.231 -0.918 . . . . 0.0 109.797 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -54.99 170.58 0.35 Allowed Pre-proline 0 CA--C 1.532 0.277 0 O-C-N 121.18 -0.95 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -88.52 -54.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.478 0.581 1 C-N-CA 125.409 4.073 . . . . 0.0 110.239 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.82 21.41 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.332 -0.855 . . . . 0.0 109.042 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.409 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -82.67 131.33 35.21 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.529 -0.732 . . . . 0.0 109.541 -179.71 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.443 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 20.5 m-85 -145.69 95.97 4.83 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 27.8 Cg_exo -29.8 106.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.484 0.927 1 C-N-CA 125.686 4.257 . . . . 0.0 111.594 -178.555 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.661 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -66.39 -63.94 0.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 179.073 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.748 ' CE2' HD21 ' A' ' 31' ' ' LEU . 14.0 m-85 -81.09 -116.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.99 29.88 7.38 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.85 22.78 7.8 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 109.747 -1.341 . . . . 0.0 109.747 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.532 HG22 ' CD1' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -96.93 -36.85 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 O-C-N 121.18 -1.188 . . . . 0.0 109.755 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.661 ' CE2' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -143.93 110.35 5.5 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.085 -1.009 . . . . 0.0 109.18 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.5 m -82.98 158.83 22.4 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 120.957 -1.089 . . . . 0.0 109.525 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.13 -179.61 3.2 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.272 -0.893 . . . . 0.0 109.452 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.86 156.83 18.72 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.244 -0.91 . . . . 0.0 109.36 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.1 t -148.01 -77.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.255 -0.903 . . . . 0.0 109.473 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.47 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.6 m120 . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 3' ' ' SER . 19.4 mm 57.95 -114.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 121.262 -0.899 . . . . 0.0 109.421 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.403 ' N ' HG22 ' A' ' 2' ' ' ILE . 4.8 t 61.71 45.15 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.21 -0.931 . . . . 0.0 109.42 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.63 -6.78 12.77 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.214 -0.929 . . . . 0.0 109.384 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.493 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 9.7 m-70 -150.18 10.09 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.304 -0.873 . . . . 0.0 109.418 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -79.6 14.55 1.61 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.242 -0.911 . . . . 0.0 109.409 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m 52.63 -153.11 0.24 Allowed 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.51 -0.744 . . . . 0.0 109.848 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 8' ' ' VAL . 18.1 t -120.38 38.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.33 -0.856 . . . . 0.0 109.24 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 65.53 51.35 1.52 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.257 -0.902 . . . . 0.0 109.203 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.671 ' HZ1' ' N ' ' A' ' 28' ' ' CYS . 0.0 OUTLIER -80.91 -121.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.161 -0.962 . . . . 0.0 109.725 -179.788 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -135.64 122.79 21.59 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.087 -1.008 . . . . 0.0 110.01 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 23.5 t -151.5 135.43 9.58 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 18.0 Cg_endo -88.03 -171.53 0.67 Allowed 'Trans proline' 0 N--CA 1.482 0.834 0 C-N-CA 124.542 3.495 . . . . 0.0 111.309 -179.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -76.25 175.65 8.84 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.684 ' HA ' HD12 ' A' ' 31' ' ' LEU . 4.1 m-20 55.62 21.13 4.3 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.197 -0.939 . . . . 0.0 108.941 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.91 146.9 26.59 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.457 -0.777 . . . . 0.0 109.164 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -113.28 169.24 12.85 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 t -92.16 145.65 24.34 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.219 -1.165 . . . . 0.0 110.031 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 2.7 t80 -155.51 118.21 4.25 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.379 -0.826 . . . . 0.0 108.803 179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.493 ' HE ' ' HA ' ' A' ' 5' ' ' HIS . 16.4 ptp180 -83.52 14.84 3.44 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.182 -0.949 . . . . 0.0 109.721 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.51 151.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.641 0.734 . . . . 0.0 110.116 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.913 ' H ' HD12 ' A' ' 22' ' ' LEU . 2.1 mp -80.34 3.14 22.09 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.134 -0.979 . . . . 0.0 108.609 179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.96 24.56 11.94 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.459 -0.775 . . . . 0.0 109.739 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.1 58.26 1.88 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.096 -1.003 . . . . 0.0 109.551 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.05 113.84 11.11 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.193 -0.942 . . . . 0.0 109.215 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.39 123.34 18.92 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.173 -0.954 . . . . 0.0 109.283 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -154.9 159.21 40.3 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.12 -0.987 . . . . 0.0 109.912 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.671 ' N ' ' HZ1' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -119.15 105.93 11.87 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 2.1 ttmm -82.44 177.68 8.62 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.411 -0.806 . . . . 0.0 110.066 -178.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.475 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 21.7 m -94.93 167.68 11.26 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.228 -0.92 . . . . 0.0 109.147 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.684 HD12 ' HA ' ' A' ' 15' ' ' ASN . 12.3 mt -84.27 -172.36 4.12 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.159 -0.963 . . . . 0.0 109.36 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 88' ' ' ASP . 0.9 OUTLIER -69.56 155.56 40.29 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.176 -0.952 . . . . 0.0 109.164 179.84 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 61.54 13.24 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.258 -0.901 . . . . 0.0 109.287 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 15' ' ' ASN . 12.1 m-85 -128.28 116.27 19.59 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.392 -0.817 . . . . 0.0 109.243 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.569 ' HG3' HG23 ' A' ' 42' ' ' VAL . 1.1 ptpt -99.11 -169.97 1.85 Allowed 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.286 -0.884 . . . . 0.0 109.307 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.0 150.79 26.12 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.719 -0.613 . . . . 0.0 109.394 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.31 113.16 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.231 -0.918 . . . . 0.0 109.508 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.54 -94.98 0.24 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -140.1 2.63 1.93 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.249 -1.148 . . . . 0.0 109.428 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -131.9 139.46 48.77 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.297 -0.877 . . . . 0.0 109.325 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.9 m -69.69 135.91 50.42 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.191 -0.943 . . . . 0.0 109.296 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.569 HG23 ' HG3' ' A' ' 35' ' ' LYS . 27.6 m -109.13 179.31 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 121.313 -0.867 . . . . 0.0 109.536 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -81.37 120.62 25.19 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.278 -0.889 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.471 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.8 t-20 -76.14 128.88 81.95 Favored Pre-proline 0 CA--C 1.536 0.423 0 O-C-N 121.333 -0.854 . . . . 0.0 109.399 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.2 Cg_endo -90.53 -16.21 1.67 Allowed 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 124.843 3.695 . . . . 0.0 110.121 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.51 HD21 ' HG3' ' A' ' 72' ' ' LYS . 11.4 t-20 -157.25 58.17 1.47 Allowed Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 121.349 -0.844 . . . . 0.0 109.511 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -38.37 125.9 0.92 Allowed 'Trans proline' 0 N--CA 1.483 0.871 1 C-N-CA 125.383 4.055 . . . . 0.0 110.367 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.6 t -126.41 -167.38 1.71 Allowed 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.133 -0.979 . . . . 0.0 109.317 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -109.94 -27.22 9.35 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.289 -0.882 . . . . 0.0 108.839 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -69.7 0.74 5.07 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.405 -0.809 . . . . 0.0 108.85 179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -98.75 51.98 0.98 Allowed 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.72 72.14 0.18 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.263 0.554 . . . . 0.0 110.491 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 4.6 t30 59.96 85.24 0.11 Allowed 'General case' 0 N--CA 1.463 0.203 0 O-C-N 121.393 -0.817 . . . . 0.0 109.131 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -92.26 43.8 2.66 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 107.905 -2.078 . . . . 0.0 107.905 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.441 ' HA2' HG22 ' A' ' 90' ' ' ILE . . . 129.12 -18.78 5.52 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 107.84 -2.104 . . . . 0.0 107.84 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 57' ' ' ASP . 33.3 m -111.22 112.04 23.54 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 121.524 -0.986 . . . . 0.0 109.149 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 18.0 t0 -30.11 141.39 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.924 0 CA-C-O 121.383 0.611 . . . . 0.0 112.003 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.81 -28.75 51.65 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.799 ' HB2' HD21 ' A' ' 22' ' ' LEU . 1.3 t0 -91.68 -15.78 27.96 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.406 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -86.14 159.38 19.53 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 121.358 -0.839 . . . . 0.0 109.585 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -88.2 156.84 19.01 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.337 -0.852 . . . . 0.0 109.334 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.4 t -126.85 141.54 51.79 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.173 -0.954 . . . . 0.0 109.429 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.03 139.93 47.47 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.266 -0.896 . . . . 0.0 109.436 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -130.81 16.08 5.27 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.335 -0.853 . . . . 0.0 109.461 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.65 157.1 2.35 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.462 -0.773 . . . . 0.0 109.56 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 t70 55.89 178.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.333 -0.855 . . . . 0.0 109.818 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 t 174.21 -79.95 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.222 -0.924 . . . . 0.0 109.355 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 144.8 -115.29 0.84 Allowed Glycine 0 CA--C 1.529 0.908 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.3 t -128.75 -46.49 1.28 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.264 -1.139 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.37 18.99 2.93 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.173 -0.955 . . . . 0.0 109.474 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.65 82.76 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HG3' HD21 ' A' ' 46' ' ' ASN . 54.9 mmtt -55.36 142.26 32.93 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.227 -1.16 . . . . 0.0 109.382 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -101.61 122.32 43.64 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.168 -0.957 . . . . 0.0 109.552 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 74' ' ' ILE . 0.9 OUTLIER -116.17 143.77 25.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 O-C-N 121.368 -0.833 . . . . 0.0 109.005 179.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.88 151.62 38.16 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.185 -0.947 . . . . 0.0 109.609 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 34.2 m -128.13 145.07 51.13 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.303 -0.873 . . . . 0.0 109.368 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.82 113.38 5.33 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.375 -0.828 . . . . 0.0 109.354 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -81.39 126.32 31.48 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.234 -0.916 . . . . 0.0 109.28 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.75 -18.55 32.71 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.236 -0.915 . . . . 0.0 109.491 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -55.07 168.58 0.51 Allowed Pre-proline 0 C--N 1.329 -0.291 0 O-C-N 121.244 -0.91 . . . . 0.0 109.34 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.401 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 13.1 Cg_endo -88.03 -42.99 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 125.191 3.928 . . . . 0.0 110.157 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.401 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 32.1 m-20 -82.23 20.49 1.04 Allowed 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.22 -0.925 . . . . 0.0 109.009 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 55.9 p -53.77 101.46 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 121.526 -0.734 . . . . 0.0 109.532 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -133.44 68.28 76.66 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 121.329 -0.857 . . . . 0.0 109.073 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -30.68 116.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.481 0.771 1 C-N-CA 126.367 4.711 . . . . 0.0 111.158 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.1 mt -77.33 -8.44 57.66 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -144.71 -109.51 0.11 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.418 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -108.98 17.08 22.11 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 121.62 -0.675 . . . . 0.0 109.728 179.577 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.3 -8.22 15.86 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 119.663 -1.256 . . . . 0.0 110.287 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.811 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.9 pt -59.94 -22.69 24.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 O-C-N 120.91 -1.347 . . . . 0.0 109.495 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.811 ' CE2' HD12 ' A' ' 90' ' ' ILE . 33.1 m-85 -140.84 107.24 5.27 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.115 -0.991 . . . . 0.0 109.659 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.6 m -105.34 128.07 53.29 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.243 -0.91 . . . . 0.0 109.288 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.04 122.06 10.1 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.2 -0.938 . . . . 0.0 109.439 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.9 p -92.02 -111.68 0.09 Allowed 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.221 -0.924 . . . . 0.0 109.445 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.87 -174.83 3.89 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.213 -0.929 . . . . 0.0 109.48 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.075 -0.964 . . . . 0.0 109.399 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.6 m120 . . . . . 0 CA--C 1.531 0.213 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.4 mm -62.3 -36.57 75.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.212 -0.93 . . . . 0.0 109.392 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.06 20.42 12.06 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.263 -0.898 . . . . 0.0 109.475 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -104.19 -50.7 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.289 -0.882 . . . . 0.0 109.412 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.486 ' HB2' HD11 ' A' ' 86' ' ' LEU . 0.7 OUTLIER -91.62 -16.47 27.02 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.312 -0.868 . . . . 0.0 109.381 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -76.95 -161.06 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.327 -0.858 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 171.1 14.44 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.284 -0.885 . . . . 0.0 109.264 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 t -103.55 93.7 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 O-C-N 121.176 -0.952 . . . . 0.0 109.56 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.36 77.89 0.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.37 -0.831 . . . . 0.0 109.403 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.533 ' HZ1' ' CB ' ' A' ' 28' ' ' CYS . 4.3 tttp -149.33 -50.95 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.254 -0.904 . . . . 0.0 109.437 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.34 -176.62 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.191 -0.943 . . . . 0.0 109.173 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 178.98 162.68 0.71 Allowed Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 121.057 -1.027 . . . . 0.0 109.484 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -37.42 167.74 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.266 1 C-N-CA 126.331 4.688 . . . . 0.0 111.923 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -83.14 177.8 8.4 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 121.198 -0.938 . . . . 0.0 108.906 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.695 ' HA ' HD12 ' A' ' 31' ' ' LEU . 13.9 m120 56.11 22.4 5.95 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 121.06 -1.025 . . . . 0.0 108.577 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.405 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 28.4 p -153.94 131.1 11.1 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.87 166.47 16.68 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 t -78.57 164.43 24.68 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.436 -1.038 . . . . 0.0 109.539 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.502 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 6.1 t80 -170.29 105.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.263 -0.898 . . . . 0.0 109.069 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 38.1 ttp85 -105.9 77.64 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.17 -0.956 . . . . 0.0 109.339 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 88.3 m-70 -155.41 -178.75 7.49 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.418 -0.801 . . . . 0.0 109.911 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 25.4 mt 70.9 -46.07 0.63 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.068 0.461 . . . . 0.0 110.222 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -117.76 13.26 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 121.161 -0.962 . . . . 0.0 108.646 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 53.62 22.87 3.26 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.036 -0.666 . . . . 0.0 109.24 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -127.96 154.52 45.48 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.349 -0.845 . . . . 0.0 109.6 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.18 127.66 33.38 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.37 -0.831 . . . . 0.0 109.66 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -140.24 179.17 6.8 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.316 -0.865 . . . . 0.0 109.38 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.533 ' CB ' ' HZ1' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -135.59 109.65 8.25 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.297 -0.877 . . . . 0.0 109.19 179.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 9.1 tttt -97.7 161.66 13.65 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.273 -0.892 . . . . 0.0 108.825 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -76.73 158.64 30.81 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 120.96 -1.088 . . . . 0.0 109.85 -179.664 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 15' ' ' ASN . 43.3 mt -73.42 -164.89 0.22 Allowed 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.424 -0.798 . . . . 0.0 109.86 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.76 153.23 41.22 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.415 -0.803 . . . . 0.0 109.508 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 61.95 11.73 4.39 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.282 -0.886 . . . . 0.0 109.411 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.446 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 11.9 m-85 -123.17 120.11 32.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.48 -0.763 . . . . 0.0 108.965 179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -103.27 -174.27 2.51 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.13 -0.981 . . . . 0.0 109.589 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.81 146.68 28.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 121.482 -0.761 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -151.02 78.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.262 -0.899 . . . . 0.0 109.435 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.71 -102.23 2.55 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -122.98 7.91 9.28 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.207 -1.172 . . . . 0.0 109.328 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -139.56 129.57 25.0 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.209 -0.932 . . . . 0.0 109.461 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 79.2 m -72.74 145.64 46.98 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.259 -0.901 . . . . 0.0 109.245 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 m -120.79 179.93 2.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 O-C-N 121.135 -0.978 . . . . 0.0 109.556 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.55 121.14 22.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.287 -0.883 . . . . 0.0 109.46 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -86.82 122.08 71.58 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 121.338 -0.851 . . . . 0.0 109.326 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -90.58 -16.98 1.49 Allowed 'Trans proline' 0 N--CA 1.479 0.62 0 C-N-CA 124.713 3.609 . . . . 0.0 110.277 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.01 87.29 6.24 Favored Pre-proline 0 CA--C 1.532 0.276 0 O-C-N 121.239 -0.913 . . . . 0.0 109.408 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -90.98 151.15 3.89 Favored 'Trans proline' 0 N--CA 1.476 0.495 1 C-N-CA 125.504 4.136 . . . . 0.0 110.329 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.772 HG22 ' HG3' ' A' ' 51' ' ' GLU . 9.5 t -144.77 -129.09 0.08 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.191 -0.943 . . . . 0.0 109.51 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.635 ' N ' HG23 ' A' ' 48' ' ' THR . 3.2 m -137.02 -36.6 0.67 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -68.27 -1.77 6.91 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.772 ' HG3' HG22 ' A' ' 48' ' ' THR . 5.1 mm-40 -90.96 50.72 1.83 Allowed 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.5 p30 41.92 70.11 0.31 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.149 0.499 . . . . 0.0 110.152 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.457 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 5.2 t-20 60.75 81.26 0.19 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.91 45.69 3.51 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.498 ' HA2' HG22 ' A' ' 90' ' ' ILE . . . 121.83 -15.01 9.04 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 108.206 -1.958 . . . . 0.0 108.206 -178.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ASP . 26.5 m -110.84 110.05 20.5 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.431 -1.041 . . . . 0.0 108.79 179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.457 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 17.2 t0 -27.73 138.08 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 121.361 0.6 . . . . 0.0 111.888 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.53 -30.2 40.5 Favored 'General case' 0 CA--C 1.528 0.126 0 O-C-N 121.477 -0.765 . . . . 0.0 109.042 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -90.23 -15.84 30.57 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.494 -0.754 . . . . 0.0 109.043 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -86.58 166.12 15.66 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.303 -0.873 . . . . 0.0 109.462 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -91.09 169.0 11.23 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.401 -0.812 . . . . 0.0 109.277 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 51.3 t -136.69 144.52 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.288 -0.883 . . . . 0.0 109.381 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.61 140.11 48.07 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.192 -0.942 . . . . 0.0 109.308 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.13 -6.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.341 -0.85 . . . . 0.0 109.48 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -82.68 60.64 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.284 -0.885 . . . . 0.0 109.319 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -157.68 -139.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.288 -0.882 . . . . 0.0 109.41 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.17 149.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.242 -0.911 . . . . 0.0 109.595 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.54 -37.83 0.02 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -174.25 2.48 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.283 -1.128 . . . . 0.0 109.341 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.16 -47.19 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.167 -0.958 . . . . 0.0 109.47 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.82 -100.66 0.01 OUTLIER Glycine 0 CA--C 1.529 0.921 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.528 ' HD2' ' H ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -99.88 156.48 17.11 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.231 -1.158 . . . . 0.0 109.472 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -129.35 107.31 9.42 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.344 -0.848 . . . . 0.0 109.456 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.435 HD11 ' HA ' ' A' ' 48' ' ' THR . 0.4 OUTLIER -144.91 148.59 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 O-C-N 121.277 -0.889 . . . . 0.0 109.536 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 m -137.17 163.61 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.297 -0.877 . . . . 0.0 109.397 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 53.7 m -131.84 138.31 48.44 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.265 -0.897 . . . . 0.0 109.529 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -135.47 98.43 3.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.333 -0.854 . . . . 0.0 109.324 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.29 83.68 1.9 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.228 -0.92 . . . . 0.0 109.605 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 t -81.36 39.78 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.222 -0.924 . . . . 0.0 109.08 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.404 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 7.8 mttt -106.44 175.85 1.91 Allowed Pre-proline 0 C--N 1.329 -0.302 0 O-C-N 121.416 -0.803 . . . . 0.0 109.318 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 11.3 Cg_endo -87.43 138.42 4.62 Favored 'Trans proline' 0 N--CA 1.476 0.475 0 C-N-CA 125.239 3.959 . . . . 0.0 109.805 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.07 5.36 3.51 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.338 -0.851 . . . . 0.0 109.306 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.7 p -65.22 110.53 2.6 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.288 -0.882 . . . . 0.0 109.331 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -131.5 79.9 68.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 O-C-N 121.283 -0.885 . . . . 0.0 109.539 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -30.8 112.23 0.04 OUTLIER 'Trans proline' 0 N--CA 1.482 0.824 1 C-N-CA 125.978 4.452 . . . . 0.0 111.221 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 5' ' ' HIS . 14.0 mt -73.03 -34.77 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CD2' HD11 ' A' ' 90' ' ' ILE . 57.9 m-85 -113.67 -105.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.02 23.9 12.15 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.615 -0.678 . . . . 0.0 109.909 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 114.97 -14.28 19.4 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 119.64 -1.267 . . . . 0.0 110.432 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.847 HD12 ' CE2' ' A' ' 91' ' ' PHE . 9.6 pt -56.87 -28.22 27.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 O-C-N 120.905 -1.35 . . . . 0.0 109.275 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.847 ' CE2' HD12 ' A' ' 90' ' ' ILE . 26.3 m-85 -136.39 104.64 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.258 -0.901 . . . . 0.0 109.513 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 2.1 m -113.62 96.8 6.06 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.181 -0.949 . . . . 0.0 109.36 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.46 164.91 26.86 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.196 -0.94 . . . . 0.0 109.365 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.8 m -161.92 -87.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.22 -0.925 . . . . 0.0 109.391 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 77.7 p -132.49 -149.09 0.36 Allowed 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.225 -0.922 . . . . 0.0 109.5 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.477 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.0 t30 . . . . . 0 CA--C 1.531 0.214 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -142.78 147.48 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 O-C-N 121.226 -0.921 . . . . 0.0 109.373 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.76 -6.72 1.68 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.24 -0.912 . . . . 0.0 109.49 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -138.99 -178.61 5.41 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.243 -0.911 . . . . 0.0 109.419 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -80.59 56.45 2.62 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.273 -0.892 . . . . 0.0 109.517 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -103.91 -5.32 22.41 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.256 -0.902 . . . . 0.0 109.385 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 65.54 149.98 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.235 -0.916 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.58 HG12 ' N ' ' A' ' 9' ' ' LYS . 79.8 t -57.4 -96.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 O-C-N 121.359 -0.838 . . . . 0.0 109.675 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.58 ' N ' HG12 ' A' ' 8' ' ' VAL . 2.6 tttm -124.83 -75.99 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.222 -0.924 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.527 ' HZ1' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER 71.56 -45.4 0.62 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.77 -0.581 . . . . 0.0 109.81 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.48 56.8 1.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.008 -1.058 . . . . 0.0 109.533 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m -66.29 174.35 1.78 Allowed Pre-proline 0 CA--C 1.532 0.286 0 O-C-N 121.267 -0.896 . . . . 0.0 109.022 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -87.27 -178.24 2.38 Favored 'Trans proline' 0 N--CA 1.478 0.594 0 C-N-CA 125.247 3.964 . . . . 0.0 110.477 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.08 174.51 7.0 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.284 -0.885 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.413 ' HA ' HD12 ' A' ' 31' ' ' LEU . 8.6 m120 56.41 19.74 4.26 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.205 -0.934 . . . . 0.0 109.284 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 1.9 p -156.0 136.31 13.05 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.326 -0.859 . . . . 0.0 109.346 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.23 161.8 12.84 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.92 139.31 39.21 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.376 -1.073 . . . . 0.0 109.32 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.503 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 43.6 t80 -143.75 131.99 21.95 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.155 -0.965 . . . . 0.0 109.542 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -83.89 116.04 22.57 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.253 -0.904 . . . . 0.0 109.093 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.02 139.87 33.21 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.349 -0.844 . . . . 0.0 109.556 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.944 ' H ' HD22 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -65.69 -8.33 20.25 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.291 -0.881 . . . . 0.0 109.012 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.11 30.35 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.379 -0.826 . . . . 0.0 109.391 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 63.25 39.11 9.9 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.221 -0.924 . . . . 0.0 109.56 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -127.74 177.66 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.248 -0.907 . . . . 0.0 109.374 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -132.52 136.9 46.94 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.205 -0.935 . . . . 0.0 109.568 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.527 ' N ' ' HZ1' ' A' ' 10' ' ' LYS . 2.3 mt-10 -162.3 159.56 25.66 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.299 -0.876 . . . . 0.0 109.298 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.7 m -105.27 120.24 41.06 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.242 -0.911 . . . . 0.0 109.256 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 136.74 43.44 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.167 -0.958 . . . . 0.0 109.099 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 3.3 m -55.14 155.07 5.03 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.218 -0.926 . . . . 0.0 109.63 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 15' ' ' ASN . 35.3 mt -68.26 -166.01 0.06 Allowed 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.254 -0.904 . . . . 0.0 109.832 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.514 ' CD1' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -72.95 158.69 34.99 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.341 -0.849 . . . . 0.0 109.594 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 57.23 17.55 3.68 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.294 -0.879 . . . . 0.0 109.399 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 21.8 m-85 -130.22 119.06 22.33 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.36 -0.838 . . . . 0.0 109.509 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -98.52 -173.51 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.185 -0.947 . . . . 0.0 109.164 179.438 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -119.54 134.55 55.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.548 -0.72 . . . . 0.0 109.575 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -136.03 75.26 1.54 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.327 -0.858 . . . . 0.0 109.34 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.02 -89.71 1.22 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.1 3.76 2.21 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.223 -1.163 . . . . 0.0 109.33 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.94 118.54 21.81 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.353 -0.842 . . . . 0.0 109.122 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 58.6 m -69.85 147.43 50.35 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.151 -0.968 . . . . 0.0 109.449 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.4 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 33.3 m -125.73 179.5 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 O-C-N 121.268 -0.895 . . . . 0.0 109.26 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.68 138.61 41.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.215 -0.928 . . . . 0.0 109.524 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -115.18 120.46 36.73 Favored Pre-proline 0 CA--C 1.536 0.43 0 O-C-N 121.301 -0.874 . . . . 0.0 109.343 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -90.38 -17.12 1.55 Allowed 'Trans proline' 0 N--CA 1.478 0.562 0 C-N-CA 124.709 3.606 . . . . 0.0 110.222 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.29 85.15 39.4 Favored Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.242 -0.911 . . . . 0.0 109.323 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -90.3 142.37 3.62 Favored 'Trans proline' 0 N--CA 1.477 0.529 1 C-N-CA 125.523 4.149 . . . . 0.0 110.41 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.7 t -137.7 -165.32 1.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.252 -0.905 . . . . 0.0 109.263 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -111.79 -27.33 8.54 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.261 -0.9 . . . . 0.0 108.794 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -69.95 0.48 5.86 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -97.86 51.36 1.05 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p30 41.95 71.96 0.19 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.214 0.53 . . . . 0.0 110.459 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 6.5 t-20 60.32 84.64 0.12 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.726 0.774 . . . . 0.0 109.189 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.94 42.18 2.97 Favored Glycine 0 CA--C 1.521 0.448 0 N-CA-C 107.939 -2.064 . . . . 0.0 107.939 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.598 ' HA2' HG22 ' A' ' 90' ' ' ILE . . . 126.95 -17.0 6.38 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 107.846 -2.102 . . . . 0.0 107.846 -178.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ASP . 24.5 m -110.74 112.62 24.62 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.507 -0.996 . . . . 0.0 108.612 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 6.5 t0 -29.29 140.14 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 CA-C-O 121.209 0.528 . . . . 0.0 111.765 -179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.38 -30.5 40.16 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -93.8 -14.63 25.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.448 ' H ' ' HB3' ' A' ' 57' ' ' ASP . . . -79.58 174.36 11.66 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.269 -0.895 . . . . 0.0 109.357 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.64 156.8 17.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 25.0 t -128.75 143.07 50.83 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 121.078 -1.014 . . . . 0.0 109.732 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.36 141.56 45.58 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.34 -0.85 . . . . 0.0 109.391 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -133.01 14.55 4.26 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.241 -0.912 . . . . 0.0 109.461 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -53.64 138.36 34.95 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.403 -0.811 . . . . 0.0 109.599 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -54.3 168.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.336 -0.853 . . . . 0.0 109.537 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 t -172.38 -24.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.343 -0.848 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.407 ' H ' ' H ' ' A' ' 69' ' ' SER . . . -159.91 -11.72 0.04 OUTLIER Glycine 0 CA--C 1.529 0.929 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.407 ' H ' ' H ' ' A' ' 68' ' ' GLY . 0.7 OUTLIER 61.05 -162.55 0.27 Allowed 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.265 -1.138 . . . . 0.0 109.53 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 55.35 48.56 18.86 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.302 -0.874 . . . . 0.0 109.439 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.94 112.42 1.76 Allowed Glycine 0 CA--C 1.529 0.937 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -54.96 103.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.237 -1.155 . . . . 0.0 109.371 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -76.92 118.61 19.68 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.305 -0.872 . . . . 0.0 109.531 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 74' ' ' ILE . 3.1 mm -113.89 112.78 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 O-C-N 121.236 -0.915 . . . . 0.0 109.274 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.59 163.14 12.39 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.223 -0.923 . . . . 0.0 109.53 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 56.4 m -137.12 126.38 24.73 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.258 -0.901 . . . . 0.0 109.568 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -122.61 96.45 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.286 -0.884 . . . . 0.0 108.796 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 95.3 m -53.05 116.1 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.392 -0.818 . . . . 0.0 110.269 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.452 HG22 ' H ' ' A' ' 79' ' ' THR . 1.5 t -78.91 6.71 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.419 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -58.49 177.25 0.24 Allowed Pre-proline 0 C--N 1.332 -0.18 0 O-C-N 121.541 -0.725 . . . . 0.0 109.222 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 9.8 Cg_endo -84.45 -85.75 0.0 OUTLIER 'Trans proline' 0 N--CA 1.476 0.443 0 C-N-CA 124.9 3.733 . . . . 0.0 109.842 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.89 -27.17 60.3 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 42.88 94.46 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.099 0.476 . . . . 0.0 110.965 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -129.21 70.98 82.02 Favored Pre-proline 0 C--N 1.332 -0.19 0 O-C-N 120.828 -1.17 . . . . 0.0 110.2 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -37.05 113.36 0.11 Allowed 'Trans proline' 0 N--CA 1.481 0.759 1 C-N-CA 125.486 4.124 . . . . 0.0 110.044 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.645 HD12 ' HB2' ' A' ' 91' ' ' PHE . 37.0 mt -67.05 -59.11 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.14 -0.975 . . . . 0.0 108.467 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.61 ' CD2' HD11 ' A' ' 90' ' ' ILE . 84.2 m-85 -92.94 -102.24 0.13 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.75 21.02 12.16 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.136 -0.626 . . . . 0.0 110.167 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.17 -20.06 6.33 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 119.577 -1.297 . . . . 0.0 110.7 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.61 HD11 ' CD2' ' A' ' 87' ' ' PHE . 5.7 pt -55.47 -37.99 47.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 O-C-N 120.938 -1.331 . . . . 0.0 109.491 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.645 ' HB2' HD12 ' A' ' 86' ' ' LEU . 9.9 m-85 -132.2 133.94 44.77 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.205 -0.934 . . . . 0.0 109.216 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.38 152.95 25.63 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.145 -0.972 . . . . 0.0 109.141 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.46 176.54 6.11 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.197 -0.939 . . . . 0.0 109.734 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.1 p -163.53 176.54 9.62 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.336 -0.853 . . . . 0.0 109.176 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.4 p -160.73 143.47 12.94 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.162 -0.961 . . . . 0.0 109.465 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.5 m120 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.36 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 75.2 m-80 . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 mm -117.29 70.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 121.211 -0.93 . . . . 0.0 109.427 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -154.42 104.6 2.59 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.171 -0.955 . . . . 0.0 109.527 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -84.46 -61.81 1.71 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.226 -0.921 . . . . 0.0 109.394 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 6' ' ' GLN . 4.7 p-80 -54.99 -32.83 62.05 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.268 -0.895 . . . . 0.0 109.237 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.403 ' N ' ' ND1' ' A' ' 5' ' ' HIS . 0.5 OUTLIER 59.48 68.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.313 -0.867 . . . . 0.0 109.822 179.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.17 120.69 11.4 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.131 -0.981 . . . . 0.0 108.898 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.403 HG22 ' H ' ' A' ' 8' ' ' VAL . 2.6 m -80.7 -44.03 21.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 O-C-N 121.196 -0.94 . . . . 0.0 109.969 -179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -165.78 100.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.128 -0.983 . . . . 0.0 109.288 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.85 138.91 25.96 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.314 -0.867 . . . . 0.0 109.641 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -75.28 -90.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.247 -0.908 . . . . 0.0 109.317 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.5 t 66.54 122.17 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.644 0 O-C-N 121.492 -0.755 . . . . 0.0 109.136 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -89.73 178.6 2.33 Favored 'Trans proline' 0 N--CA 1.483 0.871 0 C-N-CA 124.68 3.587 . . . . 0.0 111.592 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -59.62 -179.33 0.09 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.486 -0.759 . . . . 0.0 109.354 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 m120 55.02 25.49 6.99 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.406 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 2.2 t 177.6 142.36 0.09 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.533 -178.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -120.01 174.08 15.45 Favored Glycine 0 CA--C 1.533 1.194 0 N-CA-C 109.839 -1.305 . . . . 0.0 109.839 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.15 168.3 13.37 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.14 -1.212 . . . . 0.0 109.747 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -162.21 122.27 2.46 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.307 -0.871 . . . . 0.0 109.356 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -70.62 115.29 9.61 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.298 -0.876 . . . . 0.0 109.367 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.422 ' CD2' ' HB2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.78 139.63 38.88 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.279 -0.888 . . . . 0.0 109.467 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.66 ' H ' HD12 ' A' ' 22' ' ' LEU . 6.6 mp -64.05 -8.34 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.294 -0.879 . . . . 0.0 109.235 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.22 36.17 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.276 -0.89 . . . . 0.0 109.399 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 57.68 41.47 25.3 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.243 -0.911 . . . . 0.0 109.496 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -131.3 178.24 6.86 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.255 -0.903 . . . . 0.0 109.388 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -132.56 131.2 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.242 -0.911 . . . . 0.0 109.52 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.422 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 2.7 mt-10 -146.33 159.17 43.71 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.332 -0.855 . . . . 0.0 109.31 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.65 110.13 22.08 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.21 -0.931 . . . . 0.0 108.872 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.447 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 7.6 ttmt -100.08 161.87 13.33 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 121.307 -0.871 . . . . 0.0 109.324 -179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.8 m -90.27 176.69 6.65 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 120.973 -1.079 . . . . 0.0 110.096 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.8 mt -79.67 -164.94 0.72 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.339 -0.851 . . . . 0.0 109.933 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.714 HD21 ' SG ' ' A' ' 76' ' ' CYS . 0.3 OUTLIER -73.45 150.57 41.56 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.36 -0.838 . . . . 0.0 109.977 -179.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 53.86 21.42 2.77 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.404 -0.81 . . . . 0.0 110.033 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -117.09 163.6 16.01 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.154 -0.966 . . . . 0.0 109.302 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.461 ' HG3' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -131.08 179.74 5.82 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.465 -0.772 . . . . 0.0 109.229 -179.724 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -112.47 127.94 56.19 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 121.321 -0.862 . . . . 0.0 109.43 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -123.61 94.56 4.28 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.251 -0.905 . . . . 0.0 109.531 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.5 -95.42 0.38 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -127.5 13.75 7.05 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.215 -1.168 . . . . 0.0 109.474 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.18 116.8 9.73 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.285 -0.884 . . . . 0.0 109.607 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 95.1 m -70.55 152.65 43.73 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.171 -0.955 . . . . 0.0 109.113 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.461 HG22 ' HG3' ' A' ' 35' ' ' LYS . 22.3 m -133.34 -178.73 2.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 O-C-N 121.109 -0.994 . . . . 0.0 110.019 -179.564 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.06 126.19 29.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.379 -0.826 . . . . 0.0 109.434 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.486 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 8.7 t-20 -104.46 131.82 21.52 Favored Pre-proline 0 CA--C 1.535 0.376 0 O-C-N 121.247 -0.908 . . . . 0.0 109.39 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.8 Cg_endo -92.56 -15.06 1.17 Allowed 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 124.763 3.642 . . . . 0.0 110.052 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -137.29 93.59 12.85 Favored Pre-proline 0 CA--C 1.534 0.347 0 O-C-N 121.35 -0.844 . . . . 0.0 110.029 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -91.3 178.93 1.68 Allowed 'Trans proline' 0 N--CA 1.478 0.569 1 C-N-CA 125.429 4.086 . . . . 0.0 109.874 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.821 HG21 ' HG3' ' A' ' 51' ' ' GLU . 14.9 t -162.73 -147.23 0.12 Allowed 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.019 -1.051 . . . . 0.0 109.992 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.582 ' N ' HG23 ' A' ' 48' ' ' THR . 76.9 m -149.37 -45.22 0.14 Allowed 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -68.79 4.71 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.551 -0.718 . . . . 0.0 110.116 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.821 ' HG3' HG21 ' A' ' 48' ' ' THR . 75.5 mt-10 -107.08 62.58 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.051 -1.031 . . . . 0.0 108.837 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.41 73.03 0.13 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.143 0.497 . . . . 0.0 110.053 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.523 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.1 OUTLIER 65.41 96.15 0.05 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 122.618 1.199 . . . . 0.0 108.598 -179.554 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.59 21.67 31.47 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 107.885 -2.086 . . . . 0.0 107.885 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.679 ' O ' HG22 ' A' ' 90' ' ' ILE . . . 136.61 -8.07 3.95 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 108.211 -1.956 . . . . 0.0 108.211 -178.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.523 ' C ' HD22 ' A' ' 53' ' ' ASN . 73.1 m -111.66 138.72 47.86 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.339 -1.095 . . . . 0.0 109.147 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.735 ' HB3' ' HB2' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -40.57 144.86 0.21 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.104 0.478 . . . . 0.0 110.393 -179.261 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.32 -35.38 37.75 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 121.537 -0.727 . . . . 0.0 109.886 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.459 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -97.2 5.25 50.42 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.235 -0.916 . . . . 0.0 109.672 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.735 ' HB2' ' HB3' ' A' ' 57' ' ' ASP . . . -88.59 140.54 29.35 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 121.093 -1.004 . . . . 0.0 109.691 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -70.24 103.35 2.34 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.261 -0.899 . . . . 0.0 109.046 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.9 t -85.73 142.0 29.31 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.422 -0.799 . . . . 0.0 109.234 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.69 143.1 43.21 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.141 -0.975 . . . . 0.0 109.794 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -143.43 8.86 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.343 -0.848 . . . . 0.0 109.426 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' HG3' ' H ' ' A' ' 65' ' ' GLU . 4.4 mt-10 -62.01 -177.92 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.229 -0.919 . . . . 0.0 109.701 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.0 t0 53.89 -129.8 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.456 -0.778 . . . . 0.0 109.658 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m 65.57 -179.38 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.16 -0.963 . . . . 0.0 109.425 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.46 -77.95 1.34 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.7 m -59.97 -173.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.325 -1.103 . . . . 0.0 109.557 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -41.21 70.67 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.23 -0.918 . . . . 0.0 109.434 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -115.38 -117.21 3.11 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.24 155.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.422 -1.046 . . . . 0.0 109.688 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.33 117.93 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.453 -0.779 . . . . 0.0 109.962 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.404 ' HA ' HD13 ' A' ' 74' ' ' ILE . 17.0 mm -136.01 149.47 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 121.054 -1.029 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.49 142.36 43.53 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.257 -0.902 . . . . 0.0 109.409 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.714 ' SG ' HD21 ' A' ' 32' ' ' LEU . 57.6 m -117.23 115.04 24.52 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.243 -0.911 . . . . 0.0 109.263 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -123.95 94.17 4.15 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 121.107 -0.995 . . . . 0.0 109.442 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.38 96.54 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.19 -0.944 . . . . 0.0 109.053 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 79' ' ' THR . 14.2 t -84.99 42.16 0.91 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.256 -0.902 . . . . 0.0 109.817 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -111.25 170.94 4.74 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 121.082 -1.011 . . . . 0.0 109.305 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -86.29 -53.93 0.03 OUTLIER 'Trans proline' 0 N--CA 1.478 0.578 0 C-N-CA 125.169 3.912 . . . . 0.0 109.78 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -81.1 15.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.356 -0.84 . . . . 0.0 108.791 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.05 115.36 6.02 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.458 -0.776 . . . . 0.0 109.45 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -138.65 70.97 44.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 121.257 -0.902 . . . . 0.0 109.161 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -31.33 120.29 0.08 OUTLIER 'Trans proline' 0 N--CA 1.48 0.713 1 C-N-CA 126.167 4.578 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.3 mt -82.58 -30.6 29.47 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.453 ' CB ' HD11 ' A' ' 90' ' ' ILE . 7.7 m-85 -110.72 -101.23 0.4 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.51 25.96 6.41 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.229 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 112.66 23.65 5.28 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 119.503 -1.332 . . . . 0.0 110.539 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.884 HD12 ' CE2' ' A' ' 91' ' ' PHE . 0.5 OUTLIER -107.84 -14.92 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 O-C-N 120.953 -1.322 . . . . 0.0 109.315 179.581 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.884 ' CE2' HD12 ' A' ' 90' ' ' ILE . 20.3 m-85 -132.74 65.51 1.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.236 -0.915 . . . . 0.0 109.908 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -86.84 52.83 2.62 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.081 -1.012 . . . . 0.0 109.152 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 m -53.84 163.66 0.69 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.283 -0.886 . . . . 0.0 109.563 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.06 -75.41 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.3 -0.875 . . . . 0.0 109.359 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.0 p -124.87 -103.3 0.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.262 -0.899 . . . . 0.0 109.429 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.38 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.1 mm -107.83 134.74 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 O-C-N 121.306 -0.871 . . . . 0.0 109.442 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -104.19 -61.58 1.43 Allowed 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.253 -0.904 . . . . 0.0 109.488 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.471 ' H ' ' HB2' ' A' ' 94' ' ' SER . 2.7 mm-40 -123.87 -171.81 2.4 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.18 -0.95 . . . . 0.0 109.437 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 55.62 92.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.325 -0.859 . . . . 0.0 109.466 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.439 ' H ' ' HB2' ' A' ' 20' ' ' ARG . 26.9 mt-30 -140.64 32.59 1.83 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.277 -0.889 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.2 p -56.78 139.24 51.59 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.267 -0.896 . . . . 0.0 109.364 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.86 147.19 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 O-C-N 121.264 -0.898 . . . . 0.0 109.52 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt 54.72 62.25 2.62 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.246 -0.909 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -128.68 -58.27 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.226 -0.921 . . . . 0.0 109.552 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 55.58 62.03 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.283 -0.885 . . . . 0.0 109.173 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 m -68.1 173.08 3.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.258 -0.901 . . . . 0.0 109.222 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -90.07 160.57 4.84 Favored 'Trans proline' 0 N--CA 1.478 0.599 1 C-N-CA 125.552 4.168 . . . . 0.0 110.438 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -54.83 172.23 0.11 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 121.284 -0.885 . . . . 0.0 109.373 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.718 ' HA ' HD12 ' A' ' 31' ' ' LEU . 4.6 m120 55.0 35.52 24.84 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.267 -0.895 . . . . 0.0 109.036 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -168.6 116.94 0.69 Allowed 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.319 -0.863 . . . . 0.0 109.562 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.97 155.51 22.0 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.91 155.48 22.85 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.207 -1.173 . . . . 0.0 109.61 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -160.58 132.08 5.79 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.298 -0.876 . . . . 0.0 109.427 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HB2' ' H ' ' A' ' 6' ' ' GLN . 10.8 ttt-85 -82.58 117.49 22.6 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.313 -0.867 . . . . 0.0 109.114 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -53.94 133.14 43.13 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.361 -0.837 . . . . 0.0 109.608 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' N ' HD22 ' A' ' 22' ' ' LEU . 4.5 mm? -59.12 -15.24 13.22 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.371 -0.831 . . . . 0.0 109.485 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.41 30.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.3 -0.875 . . . . 0.0 109.587 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.76 37.65 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.229 -0.919 . . . . 0.0 109.66 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -127.83 177.89 6.53 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.193 -0.942 . . . . 0.0 109.225 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -135.41 136.82 41.7 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.212 -0.93 . . . . 0.0 109.596 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -160.76 161.01 31.99 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 121.213 -0.929 . . . . 0.0 109.589 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.8 m -112.04 119.3 37.98 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.326 -0.859 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -98.41 141.88 30.73 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.126 -0.984 . . . . 0.0 108.72 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 4.5 m -59.56 160.93 6.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 120.952 -1.093 . . . . 0.0 109.829 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 15' ' ' ASN . 6.5 mt -68.43 -168.1 0.11 Allowed 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.318 -0.864 . . . . 0.0 109.643 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.702 ' HG ' HG21 ' A' ' 90' ' ' ILE . 8.6 mt -72.97 155.61 39.67 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.316 -0.865 . . . . 0.0 109.53 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 m120 56.9 18.14 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 121.31 -0.869 . . . . 0.0 109.441 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 12.3 m-85 -124.85 117.33 23.89 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.319 -0.863 . . . . 0.0 108.959 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -102.13 -173.06 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.078 -1.014 . . . . 0.0 109.619 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -108.92 146.58 33.55 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.55 -0.719 . . . . 0.0 109.442 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -156.58 69.34 0.61 Allowed 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.196 -0.94 . . . . 0.0 109.365 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.58 -103.35 2.23 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -126.82 2.13 6.68 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.236 -1.155 . . . . 0.0 109.4 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -133.62 134.48 43.28 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.288 -0.883 . . . . 0.0 109.375 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.4 m -73.44 139.19 45.67 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.139 -0.976 . . . . 0.0 109.376 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.1 m -114.24 -179.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 O-C-N 121.204 -0.935 . . . . 0.0 109.468 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.4 135.34 44.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.279 -0.888 . . . . 0.0 109.244 179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -102.5 111.41 64.61 Favored Pre-proline 0 CA--C 1.534 0.334 0 O-C-N 121.257 -0.902 . . . . 0.0 109.602 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -87.87 -14.29 3.6 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 124.82 3.68 . . . . 0.0 109.76 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -146.19 82.53 9.02 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 121.495 -0.753 . . . . 0.0 109.125 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -89.01 159.31 5.87 Favored 'Trans proline' 0 N--CA 1.478 0.578 1 C-N-CA 125.467 4.112 . . . . 0.0 110.033 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.744 HG23 ' HG2' ' A' ' 51' ' ' GLU . 8.8 t -149.47 -172.83 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.157 -0.964 . . . . 0.0 109.886 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 62' ' ' CYS . 87.2 m -112.5 -31.26 6.85 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.42 -0.8 . . . . 0.0 108.887 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -58.98 -14.8 10.31 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.318 -0.863 . . . . 0.0 109.114 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.744 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.7 pt-20 -76.72 59.43 1.55 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 42.14 57.78 3.17 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.974 0.416 . . . . 0.0 111.566 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.533 HD22 ' CA ' ' A' ' 58' ' ' ALA . 7.1 t30 66.06 69.26 0.44 Allowed 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.16 -0.962 . . . . 0.0 109.547 178.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.97 -43.0 6.12 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.94 -20.55 67.63 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.508 ' HB3' HD21 ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.62 160.33 17.33 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 121.171 -1.194 . . . . 0.0 110.372 -179.788 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.443 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.5 OUTLIER -52.17 -91.73 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.566 -0.709 . . . . 0.0 109.747 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.533 ' CA ' HD22 ' A' ' 53' ' ' ASN . . . -151.68 -13.23 0.2 Allowed 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.269 -0.895 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -126.16 -15.36 5.79 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.204 -0.935 . . . . 0.0 109.551 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.428 ' HB3' ' SG ' ' A' ' 56' ' ' CYS . . . -71.52 176.65 4.55 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.217 -0.927 . . . . 0.0 109.495 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -103.21 122.9 45.7 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.221 -0.924 . . . . 0.0 109.509 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 49' ' ' CYS . 19.8 t -93.79 155.04 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.354 -0.841 . . . . 0.0 109.436 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -156.24 152.89 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.127 -0.983 . . . . 0.0 109.564 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -143.04 3.81 1.41 Allowed 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.19 -0.944 . . . . 0.0 109.524 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.4 177.0 4.85 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.29 -0.882 . . . . 0.0 109.534 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 64.8 143.06 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.359 -0.838 . . . . 0.0 109.996 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.99 163.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.229 -0.919 . . . . 0.0 109.474 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.89 148.54 0.36 Allowed Glycine 0 CA--C 1.529 0.916 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.3 t -80.12 -47.78 14.23 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.247 -1.149 . . . . 0.0 109.473 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -105.23 -58.31 1.91 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.197 -0.939 . . . . 0.0 109.427 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -143.23 -112.65 0.88 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.8 176.91 0.05 Allowed 'General case' 0 CA--C 1.53 0.205 0 O-C-N 121.364 -1.08 . . . . 0.0 109.579 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.66 121.43 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.511 -0.743 . . . . 0.0 109.675 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.476 ' HA ' HD13 ' A' ' 74' ' ' ILE . 15.8 mm -131.34 107.56 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 121.074 -1.016 . . . . 0.0 109.712 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.78 150.96 25.07 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.342 -0.849 . . . . 0.0 108.951 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -135.68 154.22 51.35 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.209 -0.932 . . . . 0.0 109.988 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -152.18 105.69 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 8.1 m -74.76 123.33 24.77 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.243 -0.91 . . . . 0.0 109.67 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.7 t -85.48 24.56 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.293 -0.879 . . . . 0.0 109.152 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -87.93 168.51 16.59 Favored Pre-proline 0 C--N 1.329 -0.296 0 O-C-N 121.374 -0.829 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -83.51 128.28 4.66 Favored 'Trans proline' 0 N--CA 1.479 0.636 0 C-N-CA 124.881 3.721 . . . . 0.0 109.472 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 t0 72.63 -53.52 0.7 Allowed 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.411 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER 62.16 152.15 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.652 0.739 . . . . 0.0 110.174 179.22 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' A' ' 94' ' ' SER . 59.3 m-85 -155.37 99.9 2.28 Favored Pre-proline 0 C--N 1.329 -0.286 0 O-C-N 121.341 -0.85 . . . . 0.0 108.816 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -86.96 116.09 1.24 Allowed 'Trans proline' 0 N--CA 1.478 0.591 0 C-N-CA 125.128 3.885 . . . . 0.0 110.579 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.4 mt -78.73 -8.66 58.94 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.521 ' CE1' HD21 ' A' ' 31' ' ' LEU . 77.6 m-85 -144.55 -110.39 0.11 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.502 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -109.82 25.64 11.56 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 121.55 -0.718 . . . . 0.0 109.71 179.637 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.21 14.53 30.47 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 119.701 -1.238 . . . . 0.0 110.113 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.743 HD12 ' HE2' ' A' ' 91' ' ' PHE . 0.8 OUTLIER -94.45 8.03 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 O-C-N 121.047 -1.267 . . . . 0.0 109.304 179.801 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.743 ' HE2' HD12 ' A' ' 90' ' ' ILE . 92.0 m-85 -153.05 43.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 121.355 -0.84 . . . . 0.0 109.215 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.3 m -53.44 116.43 2.45 Favored 'General case' 0 CA--C 1.531 0.215 0 O-C-N 121.367 -0.833 . . . . 0.0 109.6 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.9 m -146.21 -112.43 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.325 -0.859 . . . . 0.0 109.428 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.471 ' HB2' ' H ' ' A' ' 4' ' ' GLN . 2.7 t -137.31 -37.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.225 -0.922 . . . . 0.0 109.545 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 m 59.25 -154.28 0.37 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.251 -0.906 . . . . 0.0 109.377 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.458 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 CA--C 1.53 0.186 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.6 mm -103.27 151.83 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 O-C-N 121.246 -0.909 . . . . 0.0 109.408 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -109.9 -107.26 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.289 -0.882 . . . . 0.0 109.495 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.42 -10.65 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.195 -0.941 . . . . 0.0 109.553 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -72.88 5.38 3.29 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.246 -0.909 . . . . 0.0 109.318 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.13 89.33 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.285 -0.884 . . . . 0.0 109.313 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 m -54.59 139.32 38.66 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.341 -0.85 . . . . 0.0 109.439 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.601 HG23 ' N ' ' A' ' 9' ' ' LYS . 28.9 m -91.82 -49.24 13.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.159 -0.963 . . . . 0.0 109.605 -179.872 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.601 ' N ' HG23 ' A' ' 8' ' ' VAL . 6.5 tttp -135.8 30.65 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.222 -0.924 . . . . 0.0 109.505 -179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.08 162.94 13.15 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.12 -0.988 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -156.47 108.07 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.237 -0.915 . . . . 0.0 109.307 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 172.32 5.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 O-C-N 121.307 -0.871 . . . . 0.0 109.197 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -90.6 170.15 3.72 Favored 'Trans proline' 0 N--CA 1.476 0.465 1 C-N-CA 125.544 4.162 . . . . 0.0 110.229 -179.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -55.29 174.5 0.09 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.259 -0.901 . . . . 0.0 109.265 179.801 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.847 ' HA ' HD12 ' A' ' 31' ' ' LEU . 67.0 m-20 55.34 22.89 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.146 -0.971 . . . . 0.0 109.202 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 35.9 t -167.86 148.31 5.1 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.203 -0.936 . . . . 0.0 110.021 -179.718 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.33 -175.12 13.92 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.97 138.1 31.71 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.112 -1.228 . . . . 0.0 109.666 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.475 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 1.6 t80 -144.99 44.8 1.35 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.818 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.518 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 12.3 ttm180 -87.91 81.26 7.57 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.299 -0.875 . . . . 0.0 109.411 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.557 ' NE2' HD11 ' A' ' 22' ' ' LEU . 0.3 OUTLIER -148.67 -164.78 2.1 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.015 -1.053 . . . . 0.0 109.563 179.458 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.557 HD11 ' NE2' ' A' ' 21' ' ' HIS . 3.6 mt 72.18 -52.57 0.7 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -178.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.28 13.91 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.768 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 57.2 30.14 17.86 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.731 -0.606 . . . . 0.0 109.436 -179.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HA ' ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -177.38 48.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.228 -0.92 . . . . 0.0 109.752 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 20' ' ' ARG . 4.9 mm-40 -84.52 -110.0 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.319 -0.863 . . . . 0.0 109.258 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 175.39 176.5 0.2 Allowed 'General case' 0 C--N 1.332 -0.195 0 O-C-N 120.805 -1.184 . . . . 0.0 109.759 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.1 m -73.55 132.7 43.13 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.309 -0.869 . . . . 0.0 109.49 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -108.47 134.95 50.55 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.288 -0.883 . . . . 0.0 108.806 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 2.6 m -61.59 167.38 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.049 -1.032 . . . . 0.0 109.764 -179.51 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 15' ' ' ASN . 78.3 mt -80.41 -164.49 0.71 Allowed 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.24 -0.913 . . . . 0.0 109.89 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD21 ' O ' ' A' ' 55' ' ' GLY . 92.0 mt -70.3 158.75 35.34 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.35 -0.844 . . . . 0.0 109.609 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m120 56.0 18.59 3.19 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.271 -0.893 . . . . 0.0 109.706 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -128.33 149.03 50.69 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.234 -0.916 . . . . 0.0 109.338 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 13.3 ptmt -129.72 -176.18 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.315 -0.865 . . . . 0.0 108.862 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -116.71 141.46 48.17 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 121.356 -0.84 . . . . 0.0 109.499 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -159.21 103.97 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.187 -0.946 . . . . 0.0 109.472 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.39 -100.51 2.36 Favored Glycine 0 CA--C 1.529 0.94 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -134.83 -0.11 2.87 Favored 'General case' 0 CA--C 1.531 0.25 0 O-C-N 121.226 -1.161 . . . . 0.0 109.421 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -131.72 150.35 52.18 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.247 -0.908 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.6 m -86.25 147.37 26.12 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.032 -1.043 . . . . 0.0 109.482 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 22.4 m -124.83 -179.69 2.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 O-C-N 121.234 -0.916 . . . . 0.0 109.482 179.712 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.63 144.75 54.39 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.141 -0.974 . . . . 0.0 109.344 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -123.75 68.4 42.91 Favored Pre-proline 0 CA--C 1.53 0.182 0 O-C-N 121.241 -0.912 . . . . 0.0 109.815 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -34.49 -33.59 0.08 OUTLIER 'Trans proline' 0 N--CA 1.482 0.814 1 C-N-CA 125.879 4.386 . . . . 0.0 110.559 179.502 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -135.66 91.59 17.97 Favored Pre-proline 0 CA--C 1.533 0.309 0 O-C-N 121.272 -0.893 . . . . 0.0 109.345 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -89.39 154.44 5.45 Favored 'Trans proline' 0 N--CA 1.478 0.612 1 C-N-CA 125.36 4.04 . . . . 0.0 110.485 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.792 HG23 ' HG2' ' A' ' 51' ' ' GLU . 6.2 t -137.24 -175.2 3.97 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.308 -0.87 . . . . 0.0 109.635 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.25 -25.52 8.83 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.311 -0.868 . . . . 0.0 108.946 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -68.89 -0.65 5.79 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.298 -0.876 . . . . 0.0 108.758 179.22 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.792 ' HG2' HG23 ' A' ' 48' ' ' THR . 9.6 pt-20 -95.31 49.83 1.22 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 179.363 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 42.03 71.91 0.19 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.199 0.524 . . . . 0.0 110.272 -179.093 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 7.8 t-20 59.68 82.29 0.15 Allowed 'General case' 0 N--CA 1.464 0.251 0 O-C-N 121.448 -0.782 . . . . 0.0 108.968 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.67 -41.71 64.0 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 108.036 -2.026 . . . . 0.0 108.036 178.611 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.797 ' O ' HG22 ' A' ' 90' ' ' ILE . . . -149.91 -3.25 0.27 Allowed Glycine 0 CA--C 1.522 0.529 0 N-CA-C 107.531 -2.227 . . . . 0.0 107.531 179.17 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 57' ' ' ASP . 59.6 m -111.84 118.93 36.89 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.529 -0.983 . . . . 0.0 109.225 179.549 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -32.78 138.26 0.06 Allowed 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 121.404 0.621 . . . . 0.0 111.542 -179.272 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.88 -34.26 62.83 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 121.39 -0.819 . . . . 0.0 108.906 -179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' H ' ' CG ' ' A' ' 57' ' ' ASP . 0.8 OUTLIER -83.8 -10.2 58.24 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.422 -0.799 . . . . 0.0 109.075 179.788 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.2 165.73 11.91 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.211 -0.931 . . . . 0.0 109.5 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -91.87 169.84 10.36 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.351 -0.843 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.445 ' SG ' HD12 ' A' ' 74' ' ' ILE . 24.1 t -139.94 137.68 34.96 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.307 -0.871 . . . . 0.0 109.485 -179.741 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 p -119.96 139.92 51.72 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.275 -0.891 . . . . 0.0 109.488 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -133.74 17.0 3.91 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.253 -0.905 . . . . 0.0 109.492 -179.855 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 32.9 mt-10 -54.11 133.61 44.03 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.373 -0.829 . . . . 0.0 109.483 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.24 149.77 12.16 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.259 -0.901 . . . . 0.0 109.383 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.48 -9.01 5.16 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.264 -0.897 . . . . 0.0 109.456 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -142.1 -68.64 0.03 OUTLIER Glycine 0 CA--C 1.529 0.947 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.94 -69.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.153 -1.204 . . . . 0.0 109.475 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -111.22 47.68 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.232 -0.918 . . . . 0.0 109.404 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -139.69 82.97 0.24 Allowed Glycine 0 CA--C 1.529 0.952 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.45 101.77 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.242 -1.152 . . . . 0.0 109.388 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.12 160.62 15.48 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.252 -0.905 . . . . 0.0 109.452 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.514 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.2 mm -141.98 113.23 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 O-C-N 121.245 -0.91 . . . . 0.0 109.482 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.9 162.2 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.276 -0.89 . . . . 0.0 109.396 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 78.8 m -126.25 141.32 51.96 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.211 -0.931 . . . . 0.0 109.366 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -144.4 114.05 7.18 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.273 -0.892 . . . . 0.0 109.644 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.4 113.64 24.99 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.189 -0.944 . . . . 0.0 109.177 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 t -84.64 22.52 1.3 Allowed 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.212 -0.93 . . . . 0.0 109.787 -179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.401 ' N ' ' CD ' ' A' ' 80' ' ' LYS . 7.6 mptt -82.94 171.06 12.57 Favored Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 121.227 -0.921 . . . . 0.0 109.395 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -86.33 125.85 2.62 Favored 'Trans proline' 0 N--CA 1.478 0.571 0 C-N-CA 124.979 3.786 . . . . 0.0 109.039 179.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t0 72.67 -50.82 0.7 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -178.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.22 157.58 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.493 -0.754 . . . . 0.0 110.237 179.1 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -149.88 95.42 3.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -89.53 116.31 0.69 Allowed 'Trans proline' 0 N--CA 1.475 0.412 1 C-N-CA 125.307 4.004 . . . . 0.0 110.379 -179.335 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.41 ' O ' ' CD2' ' A' ' 87' ' ' PHE . 9.7 mt -81.82 0.5 39.09 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.414 ' HB2' HG12 ' A' ' 90' ' ' ILE . 64.2 m-85 -154.27 -102.76 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.27 25.47 9.82 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 121.624 -0.672 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 109.44 -4.45 31.21 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 119.514 -1.326 . . . . 0.0 110.331 179.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.797 HG22 ' O ' ' A' ' 55' ' ' GLY . 11.5 pt -65.45 -26.32 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 120.942 -1.328 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.489 ' CE2' HD12 ' A' ' 90' ' ' ILE . 14.6 m-85 -130.31 72.8 1.5 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.278 -0.889 . . . . 0.0 110.232 -179.716 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.428 ' H ' ' HB2' ' A' ' 57' ' ' ASP . 5.1 m -76.63 135.0 39.16 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 120.957 -1.089 . . . . 0.0 108.925 179.354 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 m -129.14 163.41 25.57 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.058 -1.026 . . . . 0.0 109.72 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -174.04 -98.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.387 -0.821 . . . . 0.0 109.398 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.16 94.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.264 -0.898 . . . . 0.0 109.498 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 51.1 t30 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.035 -0.984 . . . . 0.0 109.419 -179.991 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.56 -165.62 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 O-C-N 121.308 -0.87 . . . . 0.0 109.425 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.37 -9.26 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.171 -0.956 . . . . 0.0 109.493 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.422 HE22 ' HG2' ' A' ' 81' ' ' PRO . 33.2 mt-30 -64.94 -96.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.28 -0.888 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -101.52 67.74 1.15 Allowed 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.169 -0.957 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -68.66 -49.38 59.54 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.594 -179.828 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t 66.26 118.01 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.303 -0.873 . . . . 0.0 109.446 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.72 -144.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 121.2 -0.937 . . . . 0.0 109.641 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.573 ' H ' ' CD ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -66.65 -70.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.302 -0.874 . . . . 0.0 109.579 -179.867 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' H ' ' HG2' ' A' ' 9' ' ' LYS . 0.1 OUTLIER 66.78 126.01 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.376 -0.828 . . . . 0.0 109.544 179.891 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -117.39 78.17 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.211 -0.93 . . . . 0.0 109.437 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.39 173.98 5.11 Favored Pre-proline 0 CA--C 1.531 0.219 0 O-C-N 121.254 -0.904 . . . . 0.0 109.243 179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -88.85 158.83 6.07 Favored 'Trans proline' 0 N--CA 1.478 0.565 1 C-N-CA 125.437 4.092 . . . . 0.0 110.403 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -54.55 173.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 O-C-N 121.29 -0.881 . . . . 0.0 109.439 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 34' ' ' TYR . 4.6 m120 60.88 14.7 5.41 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.206 -0.934 . . . . 0.0 109.144 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.401 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 33.6 t -157.12 134.8 10.77 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.347 -0.846 . . . . 0.0 109.491 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.16 171.1 13.59 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -93.74 154.53 17.73 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.249 -1.148 . . . . 0.0 109.807 -179.764 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 40.5 t80 -154.76 146.97 23.78 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.318 -0.864 . . . . 0.0 109.162 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.67 115.58 24.22 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.271 -0.893 . . . . 0.0 109.542 -179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.9 144.82 21.69 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.304 -0.873 . . . . 0.0 109.407 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.593 HD21 ' HB2' ' A' ' 59' ' ' ASP . 7.9 mp -68.31 -0.96 5.37 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.211 -0.931 . . . . 0.0 109.25 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.22 28.66 7.49 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.269 -0.894 . . . . 0.0 109.333 179.805 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.66 36.04 6.63 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.252 -0.905 . . . . 0.0 109.518 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.5 178.82 5.42 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.162 -0.961 . . . . 0.0 109.383 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -136.33 138.66 41.89 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.203 -0.936 . . . . 0.0 109.479 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -158.12 160.52 37.39 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.205 -0.934 . . . . 0.0 109.595 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.1 m -104.37 110.14 22.27 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.273 -0.892 . . . . 0.0 109.396 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 136.04 36.92 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.214 -0.929 . . . . 0.0 109.023 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.401 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 2.7 m -58.48 146.3 35.79 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.149 -0.969 . . . . 0.0 109.199 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.633 HD22 ' CG ' ' A' ' 87' ' ' PHE . 78.0 mt -61.52 -166.93 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.211 -0.931 . . . . 0.0 109.869 -179.545 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.789 HD21 HG23 ' A' ' 90' ' ' ILE . 9.2 mt -73.39 167.43 21.28 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.366 -0.834 . . . . 0.0 109.665 -179.766 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.0 m120 57.29 17.73 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.405 -0.81 . . . . 0.0 109.387 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 15' ' ' ASN . 21.4 m-85 -131.06 173.19 11.26 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.366 -0.834 . . . . 0.0 109.355 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -153.89 -175.11 5.22 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.858 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -115.04 134.21 55.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.485 -0.76 . . . . 0.0 109.478 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -141.92 81.05 1.74 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.359 -0.838 . . . . 0.0 109.356 179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.45 -92.83 1.72 Allowed Glycine 0 CA--C 1.531 1.047 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -136.45 -4.13 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.333 -1.098 . . . . 0.0 109.434 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -124.63 131.82 53.45 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.232 -0.917 . . . . 0.0 109.198 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 76.3 m -71.02 145.17 50.14 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.125 -0.984 . . . . 0.0 109.461 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.401 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 34.3 m -124.48 172.4 12.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 O-C-N 121.32 -0.863 . . . . 0.0 109.564 179.711 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -63.44 148.84 47.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.256 -0.903 . . . . 0.0 109.712 -179.741 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -123.51 67.1 37.05 Favored Pre-proline 0 C--N 1.331 -0.198 0 O-C-N 121.218 -0.926 . . . . 0.0 109.552 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -34.09 -33.62 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.774 1 C-N-CA 125.982 4.454 . . . . 0.0 110.678 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -138.8 92.73 11.08 Favored Pre-proline 0 CA--C 1.533 0.317 0 O-C-N 121.225 -0.922 . . . . 0.0 109.527 -179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -88.79 172.78 4.48 Favored 'Trans proline' 0 N--CA 1.479 0.648 0 C-N-CA 125.185 3.924 . . . . 0.0 110.004 179.667 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.7 HG23 ' HG2' ' A' ' 51' ' ' GLU . 8.8 t -158.25 -171.44 3.49 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.115 -0.99 . . . . 0.0 109.784 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 99.6 m -111.17 -31.52 7.07 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.427 -0.796 . . . . 0.0 108.931 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -60.02 -13.93 13.87 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.338 -0.851 . . . . 0.0 109.15 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.7 ' HG2' HG23 ' A' ' 48' ' ' THR . 13.6 pt-20 -77.83 59.12 2.01 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 42.07 58.18 3.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.005 0.431 . . . . 0.0 111.455 -179.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.8 OUTLIER 66.2 70.68 0.42 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.184 -0.947 . . . . 0.0 109.33 178.755 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -84.99 -48.02 5.05 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 179.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.4 -15.91 72.73 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 179.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -111.25 162.4 15.01 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.005 -1.291 . . . . 0.0 109.98 -179.739 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.55 ' OD1' ' HB2' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -51.18 -87.55 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 O-C-N 121.597 -0.69 . . . . 0.0 109.711 -179.932 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.443 ' HB3' HD11 ' A' ' 22' ' ' LEU . . . -153.81 -9.6 0.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.411 -0.806 . . . . 0.0 109.031 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.593 ' HB2' HD21 ' A' ' 22' ' ' LEU . 1.1 t70 -138.86 -7.92 1.4 Allowed 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.342 -0.849 . . . . 0.0 109.403 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.55 ' HB2' ' OD1' ' A' ' 57' ' ' ASP . . . -69.7 171.44 9.08 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.187 -0.945 . . . . 0.0 109.705 -179.723 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -91.13 115.02 27.68 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 121.273 -0.892 . . . . 0.0 109.309 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 25.0 t -92.4 141.64 28.31 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.172 -0.955 . . . . 0.0 109.691 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.98 155.25 40.54 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.264 -0.897 . . . . 0.0 109.38 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.38 30.65 6.21 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.18 -0.95 . . . . 0.0 109.588 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.89 174.48 10.52 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.17 -0.956 . . . . 0.0 109.612 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.84 157.07 10.22 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.339 -0.851 . . . . 0.0 109.507 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -175.19 -97.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.267 -0.896 . . . . 0.0 109.403 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.21 120.22 0.59 Allowed Glycine 0 CA--C 1.528 0.901 0 N-CA-C 109.629 -1.389 . . . . 0.0 109.629 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 p -169.01 -123.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.237 -1.155 . . . . 0.0 109.389 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -125.71 -92.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.222 -0.924 . . . . 0.0 109.462 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.05 -102.19 0.03 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.3 155.83 29.96 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.234 -1.157 . . . . 0.0 109.411 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.9 mmmt -94.04 106.06 18.04 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.226 -0.921 . . . . 0.0 109.487 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mm -120.75 115.36 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 O-C-N 121.222 -0.924 . . . . 0.0 109.221 179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.451 HG22 ' H ' ' A' ' 76' ' ' CYS . 0.7 OUTLIER -111.3 173.21 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.278 -0.889 . . . . 0.0 109.642 -179.801 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.451 ' H ' HG22 ' A' ' 75' ' ' THR . 0.8 OUTLIER -152.19 148.32 27.45 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.344 -0.847 . . . . 0.0 110.077 -179.929 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -136.86 86.89 2.24 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 121.386 -0.821 . . . . 0.0 108.84 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.5 m -60.37 117.23 4.98 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.308 -0.87 . . . . 0.0 109.935 -179.439 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 t -71.1 0.77 6.9 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.27 -0.893 . . . . 0.0 108.835 179.335 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -62.35 168.99 3.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.461 -0.774 . . . . 0.0 109.231 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.422 ' HG2' HE22 ' A' ' 4' ' ' GLN . 3.6 Cg_endo -79.38 130.94 9.31 Favored 'Trans proline' 0 N--CA 1.478 0.609 0 C-N-CA 124.641 3.561 . . . . 0.0 109.506 179.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 72.68 -53.11 0.7 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.165 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 t 51.92 92.43 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 O-C-N 121.522 -0.736 . . . . 0.0 109.823 179.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.401 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 4.6 m-85 -116.14 81.9 10.81 Favored Pre-proline 0 C--N 1.33 -0.25 0 O-C-N 121.233 -0.917 . . . . 0.0 109.881 -179.76 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 19.7 Cg_exo -33.1 151.5 0.02 OUTLIER 'Trans proline' 0 N--CA 1.483 0.889 1 C-N-CA 125.63 4.22 . . . . 0.0 110.665 179.615 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.798 HD12 ' CB ' ' A' ' 91' ' ' PHE . 58.2 mt -120.05 -2.31 10.25 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.268 -0.895 . . . . 0.0 109.726 -179.701 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.633 ' CG ' HD22 ' A' ' 31' ' ' LEU . 78.1 m-85 -152.22 -14.53 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.024 -1.048 . . . . 0.0 109.965 -179.827 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 166.98 -46.36 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.635 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 179.34 7.51 0.02 OUTLIER Glycine 0 CA--C 1.529 0.931 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.789 HG23 HD21 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -81.58 -86.94 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 O-C-N 121.056 -1.261 . . . . 0.0 108.913 179.751 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.798 ' CB ' HD12 ' A' ' 86' ' ' LEU . 12.4 m-85 -66.59 113.91 5.13 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.315 -0.865 . . . . 0.0 109.297 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 6.4 m -107.57 64.28 0.63 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.247 -0.908 . . . . 0.0 109.452 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 p -116.72 -160.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.272 -0.892 . . . . 0.0 109.394 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.76 147.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.293 -0.879 . . . . 0.0 109.385 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.49 -69.4 0.72 Allowed 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.228 -0.92 . . . . 0.0 109.45 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 m120 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.431 -179.912 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.8 mm -103.62 75.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 O-C-N 121.238 -0.914 . . . . 0.0 109.468 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 t -104.77 51.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.247 -0.908 . . . . 0.0 109.396 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -108.3 17.35 22.28 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.303 -0.873 . . . . 0.0 109.487 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.428 ' H ' ' H ' ' A' ' 6' ' ' GLN . 5.8 p80 -179.49 -9.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.238 -0.913 . . . . 0.0 109.462 179.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.428 ' H ' ' H ' ' A' ' 5' ' ' HIS . 0.9 OUTLIER -66.8 164.12 17.9 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.281 -0.887 . . . . 0.0 109.484 179.884 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.58 177.32 4.68 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.212 -0.93 . . . . 0.0 109.267 179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.65 -12.03 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 O-C-N 121.259 -0.9 . . . . 0.0 109.508 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -144.54 48.22 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.277 -0.889 . . . . 0.0 109.386 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' CG ' ' H ' ' A' ' 11' ' ' GLN . 1.5 ttmm -139.17 -160.42 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.205 -0.934 . . . . 0.0 109.466 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.451 ' H ' ' CG ' ' A' ' 10' ' ' LYS . 4.0 mt-30 -162.91 49.66 0.16 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 121.245 -0.909 . . . . 0.0 109.603 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 21.2 t -54.83 131.81 66.33 Favored Pre-proline 0 CA--C 1.54 0.578 0 O-C-N 121.217 -0.927 . . . . 0.0 108.59 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 28.8 Cg_endo -83.55 -169.33 0.68 Allowed 'Trans proline' 0 N--CA 1.483 0.909 0 C-N-CA 124.319 3.346 . . . . 0.0 110.863 -179.479 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -72.88 173.78 8.7 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.665 ' HA ' HD12 ' A' ' 31' ' ' LEU . 29.1 m-20 55.32 27.26 9.64 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.162 -0.961 . . . . 0.0 109.148 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 52.5 p -165.47 125.08 1.76 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.282 -0.886 . . . . 0.0 109.355 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.08 163.83 20.33 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.63 175.84 9.44 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.314 -1.109 . . . . 0.0 109.83 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.959 ' CE2' HD13 ' A' ' 22' ' ' LEU . 2.1 t80 -166.79 101.92 0.57 Allowed 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.478 -0.764 . . . . 0.0 109.165 -179.727 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -135.53 78.63 1.74 Allowed 'General case' 0 N--CA 1.463 0.219 0 O-C-N 121.095 -1.003 . . . . 0.0 109.951 -179.773 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.453 ' NE2' ' CZ ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -176.57 1.78 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.09 -1.006 . . . . 0.0 110.282 179.481 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.959 HD13 ' CE2' ' A' ' 19' ' ' PHE . 2.1 mp -109.92 -0.61 18.16 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.079 -1.013 . . . . 0.0 109.119 179.591 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.68 8.23 0.31 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.504 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.62 1.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.659 -0.651 . . . . 0.0 109.623 -179.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 mtt180 -110.5 174.48 5.84 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.134 -0.979 . . . . 0.0 109.142 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 134.76 46.25 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.117 -0.989 . . . . 0.0 109.764 -179.828 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -142.3 160.38 40.36 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.347 -0.846 . . . . 0.0 109.327 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -134.25 101.31 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.198 -0.938 . . . . 0.0 108.56 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 10.7 tttm -93.38 160.16 14.93 Favored 'General case' 0 C--O 1.224 -0.267 0 O-C-N 121.287 -0.883 . . . . 0.0 109.518 -179.126 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.0 m -80.07 156.97 26.84 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.121 -0.987 . . . . 0.0 109.775 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 15' ' ' ASN . 40.0 mt -65.09 -164.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.247 -0.908 . . . . 0.0 109.222 179.77 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.15 162.94 27.57 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.131 -0.98 . . . . 0.0 109.526 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 59.11 16.94 5.14 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.279 -0.888 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -124.56 172.9 8.85 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.284 -0.885 . . . . 0.0 109.72 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.512 ' HG3' HG23 ' A' ' 42' ' ' VAL . 8.1 ptmt -154.65 -173.32 4.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -108.37 138.2 45.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.486 -0.759 . . . . 0.0 109.762 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -159.36 102.11 1.56 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.259 -0.9 . . . . 0.0 109.312 179.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.83 -123.39 6.09 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -112.56 12.84 19.96 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.236 -1.156 . . . . 0.0 109.312 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.34 147.46 31.36 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.333 -0.855 . . . . 0.0 109.052 179.859 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.4 m -75.72 149.49 38.05 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.265 -0.897 . . . . 0.0 109.637 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.512 HG23 ' HG3' ' A' ' 35' ' ' LYS . 28.6 m -122.65 166.91 16.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 O-C-N 121.238 -0.914 . . . . 0.0 109.673 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -56.92 154.57 9.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.146 -0.971 . . . . 0.0 109.319 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.428 HD22 ' CD ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -129.55 112.89 17.9 Favored Pre-proline 0 CA--C 1.535 0.369 0 O-C-N 121.164 -0.96 . . . . 0.0 109.717 -179.616 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.428 ' CD ' HD22 ' A' ' 44' ' ' ASN . 12.3 Cg_endo -89.79 -15.89 2.05 Favored 'Trans proline' 0 N--CA 1.478 0.563 0 C-N-CA 124.892 3.728 . . . . 0.0 109.901 179.407 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -130.67 87.16 50.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.51 -0.744 . . . . 0.0 109.019 179.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -86.98 113.69 1.03 Allowed 'Trans proline' 0 N--CA 1.477 0.542 0 C-N-CA 125.273 3.982 . . . . 0.0 110.7 -179.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.778 HG23 ' HG2' ' A' ' 51' ' ' GLU . 5.3 t -119.05 -174.6 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.303 -0.873 . . . . 0.0 109.18 179.64 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 15.8 m -111.85 -25.74 9.29 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.231 -0.918 . . . . 0.0 108.953 179.911 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -69.51 -0.32 6.44 Favored 'General case' 0 C--N 1.332 -0.181 0 O-C-N 121.338 -0.851 . . . . 0.0 108.708 179.22 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.778 ' HG2' HG23 ' A' ' 48' ' ' THR . 10.1 pt-20 -96.55 50.46 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.92 71.57 0.21 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 121.24 0.543 . . . . 0.0 110.396 -179.179 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 5.7 t30 60.21 85.2 0.11 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.552 0.691 . . . . 0.0 109.235 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.13 -42.32 84.47 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 107.762 -2.135 . . . . 0.0 107.762 178.342 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.13 -0.37 0.3 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 107.456 -2.258 . . . . 0.0 107.456 178.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ASP . 75.2 m -111.15 111.52 22.65 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 121.632 -0.922 . . . . 0.0 109.314 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -28.11 140.41 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.376 0.607 . . . . 0.0 112.018 -179.374 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.38 -34.58 64.45 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.339 -0.85 . . . . 0.0 108.996 -179.773 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.694 ' HB2' HD21 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -82.05 -11.3 58.87 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.318 -0.864 . . . . 0.0 108.735 179.586 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 92' ' ' CYS . . . -95.36 142.75 27.38 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.35 -0.844 . . . . 0.0 109.27 179.771 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.52 169.13 17.12 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.174 -0.954 . . . . 0.0 109.27 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 7.7 t -137.03 155.03 50.2 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.273 -0.892 . . . . 0.0 109.154 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.95 144.14 24.74 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.12 -0.988 . . . . 0.0 109.519 -179.757 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.47 -9.97 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.32 -0.863 . . . . 0.0 109.535 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -78.69 -178.08 5.74 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.294 -0.879 . . . . 0.0 109.734 -179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.4 t0 57.16 17.1 3.34 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.429 -0.794 . . . . 0.0 109.759 179.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 m -161.44 -127.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.253 -0.904 . . . . 0.0 109.432 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.541 ' H ' ' CB ' ' A' ' 73' ' ' LYS . . . -67.03 -139.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.54 ' H ' ' HB2' ' A' ' 72' ' ' LYS . 0.6 OUTLIER 179.23 153.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.239 -1.153 . . . . 0.0 109.774 179.92 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 54.66 40.02 31.62 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.368 -0.832 . . . . 0.0 109.83 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.09 -45.6 1.28 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.54 ' HB2' ' H ' ' A' ' 69' ' ' SER . 0.0 OUTLIER -51.24 126.34 16.5 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.684 -0.892 . . . . 0.0 110.017 -179.637 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.541 ' CB ' ' H ' ' A' ' 68' ' ' GLY . 0.2 OUTLIER 64.14 121.43 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.656 0.741 . . . . 0.0 110.003 179.714 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.0 mm -138.89 156.47 28.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 121.193 -0.942 . . . . 0.0 109.001 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.66 149.45 35.7 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.144 -0.972 . . . . 0.0 109.568 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.9 m -115.45 136.31 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.355 -0.841 . . . . 0.0 109.21 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -127.26 84.9 2.3 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.21 -0.931 . . . . 0.0 109.573 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.64 112.28 6.76 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.294 -0.879 . . . . 0.0 109.139 179.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 79' ' ' THR . 15.1 t -89.54 41.32 1.03 Allowed 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.229 -0.92 . . . . 0.0 110.01 -179.416 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 169.14 6.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 O-C-N 121.151 -0.968 . . . . 0.0 109.17 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -84.01 127.82 4.2 Favored 'Trans proline' 0 N--CA 1.477 0.509 0 C-N-CA 124.901 3.734 . . . . 0.0 109.535 179.611 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.72 -52.62 0.7 Allowed 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -178.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.83 160.01 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.401 -0.812 . . . . 0.0 110.17 179.245 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -148.93 94.06 4.11 Favored Pre-proline 0 C--N 1.328 -0.329 0 O-C-N 121.396 -0.815 . . . . 0.0 109.073 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -91.34 119.95 0.6 Allowed 'Trans proline' 0 N--CA 1.475 0.426 1 C-N-CA 125.605 4.203 . . . . 0.0 110.237 -179.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 87' ' ' PHE . 21.3 mt -92.04 -24.29 19.23 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.295 -0.878 . . . . 0.0 108.942 179.81 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.441 ' CD2' ' HB2' ' A' ' 86' ' ' LEU . 42.8 m-85 -147.12 73.72 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.4 OUTLIER 75.94 -32.92 0.21 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 121.953 -0.467 . . . . 0.0 110.298 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.48 31.57 0.07 OUTLIER Glycine 0 CA--C 1.533 1.181 0 C-N-CA 118.964 -1.588 . . . . 0.0 111.273 179.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.782 HD11 ' CE2' ' A' ' 91' ' ' PHE . 0.1 OUTLIER -91.95 -12.85 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 O-C-N 120.735 -1.45 . . . . 0.0 108.776 179.121 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.782 ' CE2' HD11 ' A' ' 90' ' ' ILE . 29.0 m-85 -131.85 38.95 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.444 -0.785 . . . . 0.0 109.116 179.48 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -53.31 165.21 0.38 Allowed 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.341 -0.849 . . . . 0.0 109.782 -179.83 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -151.9 -161.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.316 -0.865 . . . . 0.0 109.241 179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.1 p -134.14 -130.4 0.17 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.244 -0.91 . . . . 0.0 109.357 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.1 p -167.94 128.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.309 -0.869 . . . . 0.0 109.46 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.2 m120 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.417 -179.961 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.8 t30 . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.4 mm -88.17 101.49 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 O-C-N 121.275 -0.891 . . . . 0.0 109.463 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.6 t -162.78 -7.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.233 -0.917 . . . . 0.0 109.502 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -56.17 -70.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.303 -0.873 . . . . 0.0 109.565 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.513 ' CG ' HD11 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -55.21 -34.98 64.4 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.222 -0.924 . . . . 0.0 109.527 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.444 ' N ' ' CG ' ' A' ' 5' ' ' HIS . 6.2 tt0 -55.5 169.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.285 -0.885 . . . . 0.0 109.549 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.39 178.38 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.268 -0.895 . . . . 0.0 109.312 179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.0 t -105.03 -67.56 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 O-C-N 121.28 -0.887 . . . . 0.0 109.592 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.8 35.95 4.5 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.276 -0.89 . . . . 0.0 109.439 -179.886 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HZ1' ' HB2' ' A' ' 12' ' ' CYS . 2.8 ttpp -106.4 175.92 5.34 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.276 -0.89 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' H ' ' HG2' ' A' ' 10' ' ' LYS . 3.5 pt20 -148.5 99.12 2.98 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.225 -0.922 . . . . 0.0 110.07 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.499 ' HB2' ' HZ1' ' A' ' 10' ' ' LYS . 19.5 t -96.16 135.71 22.49 Favored Pre-proline 0 CA--C 1.539 0.543 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.363 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 18.3 Cg_endo -82.18 -169.34 0.74 Allowed 'Trans proline' 0 N--CA 1.483 0.874 0 C-N-CA 124.322 3.348 . . . . 0.0 110.925 -179.435 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -73.93 174.45 8.53 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.646 ' HA ' HD12 ' A' ' 31' ' ' LEU . 7.1 m120 55.26 22.18 4.59 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 121.091 -1.006 . . . . 0.0 109.045 -179.733 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 38.7 p -160.38 130.22 5.2 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.34 -0.85 . . . . 0.0 109.446 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -101.81 161.12 17.75 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.6 t -96.58 141.3 30.01 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.449 -1.03 . . . . 0.0 109.512 -179.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -138.16 112.4 8.63 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.207 -0.933 . . . . 0.0 109.449 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -63.89 114.38 4.04 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.18 -0.95 . . . . 0.0 109.319 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.43 139.4 37.35 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.289 -0.882 . . . . 0.0 109.446 179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.724 HD21 ' OD2' ' A' ' 59' ' ' ASP . 7.2 mp -62.78 -9.53 9.72 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.248 -0.907 . . . . 0.0 109.343 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.86 38.5 1.22 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.278 -0.889 . . . . 0.0 109.241 179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 57.23 31.85 20.75 Favored 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.225 -0.922 . . . . 0.0 109.594 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.79 178.4 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.2 -0.937 . . . . 0.0 109.379 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -134.61 128.53 33.35 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.233 -0.917 . . . . 0.0 109.475 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -132.45 162.97 29.81 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.257 -0.902 . . . . 0.0 109.768 179.857 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -132.01 108.15 9.15 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 0.2 OUTLIER -102.02 160.81 14.18 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.266 -0.896 . . . . 0.0 109.434 -179.17 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.421 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 2.7 m -78.8 152.19 31.52 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 120.979 -1.075 . . . . 0.0 109.364 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 15' ' ' ASN . 75.8 mt -62.14 -164.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.305 -0.872 . . . . 0.0 109.854 -179.705 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.89 164.35 26.65 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.237 -0.914 . . . . 0.0 109.405 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 m120 56.72 17.36 3.12 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.25 -0.906 . . . . 0.0 109.599 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -125.02 174.57 7.92 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.309 -0.869 . . . . 0.0 109.602 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HG3' HG23 ' A' ' 42' ' ' VAL . 8.7 ptmt -159.5 -174.24 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -112.6 134.42 54.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.449 -0.782 . . . . 0.0 109.601 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -154.87 72.96 0.86 Allowed 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.146 -0.971 . . . . 0.0 109.407 179.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.35 -131.01 10.41 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -101.92 15.49 28.85 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.248 -1.148 . . . . 0.0 109.479 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -151.55 153.19 34.06 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.247 -0.908 . . . . 0.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 73.6 m -84.68 148.22 26.52 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.173 -0.955 . . . . 0.0 109.293 179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.404 HG23 ' HG3' ' A' ' 35' ' ' LYS . 35.1 m -120.83 172.9 7.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 O-C-N 121.116 -0.99 . . . . 0.0 109.702 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 146.92 53.8 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.272 -0.892 . . . . 0.0 109.511 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -124.12 67.68 44.94 Favored Pre-proline 0 C--N 1.331 -0.232 0 O-C-N 121.281 -0.887 . . . . 0.0 109.446 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -33.86 -34.12 0.07 OUTLIER 'Trans proline' 0 N--CA 1.481 0.769 1 C-N-CA 125.973 4.449 . . . . 0.0 110.619 179.66 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -133.59 86.11 40.65 Favored Pre-proline 0 CA--C 1.532 0.251 0 O-C-N 121.25 -0.906 . . . . 0.0 109.529 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -89.23 165.99 5.52 Favored 'Trans proline' 0 N--CA 1.478 0.609 1 C-N-CA 125.504 4.136 . . . . 0.0 110.197 179.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.706 ' HA ' HD11 ' A' ' 74' ' ' ILE . 9.4 t -159.9 -167.41 1.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.21 -0.931 . . . . 0.0 109.818 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.7 m -104.42 -20.5 13.7 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -62.5 -12.67 23.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.425 ' CG ' ' CG2' ' A' ' 48' ' ' THR . 2.4 mt-10 -75.1 53.78 0.64 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.078 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 p30 42.07 59.1 2.7 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.331 0.586 . . . . 0.0 109.947 -178.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.464 HD22 ' C ' ' A' ' 57' ' ' ASP . 6.6 t30 66.72 55.59 0.76 Allowed 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.467 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.47 -46.05 16.41 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.04 -16.3 75.06 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.1 m -111.43 161.69 15.85 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 120.981 -1.305 . . . . 0.0 110.422 -179.596 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.464 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.7 OUTLIER -64.13 -92.24 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 O-C-N 121.371 -0.83 . . . . 0.0 109.472 179.852 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.69 -9.89 0.21 Allowed 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.261 -0.9 . . . . 0.0 109.422 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.724 ' OD2' HD21 ' A' ' 22' ' ' LEU . 70.0 m-20 -132.71 -14.5 2.8 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.275 -0.89 . . . . 0.0 109.599 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.81 167.11 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.187 -0.946 . . . . 0.0 109.547 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -87.49 125.38 34.28 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.255 -0.903 . . . . 0.0 109.408 179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.84 159.07 15.16 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.185 -0.947 . . . . 0.0 109.81 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.62 156.67 30.48 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.441 -0.787 . . . . 0.0 109.083 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -138.72 18.61 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.075 -1.016 . . . . 0.0 109.6 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 65' ' ' GLU . 32.3 mt-10 -54.14 99.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.311 -0.868 . . . . 0.0 109.339 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -79.67 -170.63 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.305 -0.872 . . . . 0.0 109.583 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.43 -10.75 7.94 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.353 -0.842 . . . . 0.0 109.402 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.41 -155.53 16.1 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.561 -1.415 . . . . 0.0 109.561 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.29 -156.34 0.28 Allowed 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.227 -1.16 . . . . 0.0 109.524 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -113.47 50.51 0.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.278 -0.889 . . . . 0.0 109.39 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.77 97.03 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 -179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 162.9 1.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.313 -1.11 . . . . 0.0 109.417 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 150.55 48.53 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.23 -0.919 . . . . 0.0 109.427 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.706 HD11 ' HA ' ' A' ' 48' ' ' THR . 1.2 mm -124.13 152.94 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 O-C-N 121.26 -0.9 . . . . 0.0 109.291 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 m -147.23 157.45 43.6 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.187 -0.946 . . . . 0.0 109.47 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -159.61 145.18 15.75 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.179 -0.95 . . . . 0.0 109.519 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -144.74 111.86 5.96 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.331 -0.856 . . . . 0.0 109.098 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -82.38 75.93 9.27 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.245 -0.909 . . . . 0.0 109.149 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 79' ' ' THR . 12.4 t -75.67 44.92 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.271 -0.893 . . . . 0.0 109.526 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.41 ' CB ' ' CD ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -113.4 175.5 1.83 Allowed Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 121.201 -0.937 . . . . 0.0 109.408 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.41 ' CD ' ' CB ' ' A' ' 80' ' ' LYS . 10.9 Cg_endo -87.51 139.85 5.09 Favored 'Trans proline' 0 N--CA 1.476 0.495 0 C-N-CA 125.292 3.995 . . . . 0.0 109.794 179.598 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t70 66.99 2.35 2.67 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 121.367 -0.833 . . . . 0.0 109.402 -179.641 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.07 121.51 16.28 Favored 'General case' 0 C--N 1.333 -0.151 0 O-C-N 121.173 -0.954 . . . . 0.0 109.003 179.662 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.419 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 9.6 m-85 -141.52 78.98 17.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 O-C-N 121.159 -0.963 . . . . 0.0 109.787 -179.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 22.6 Cg_exo -31.94 150.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.484 0.918 1 C-N-CA 125.974 4.449 . . . . 0.0 110.88 179.69 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.513 HD11 ' CG ' ' A' ' 5' ' ' HIS . 33.4 mt -115.97 -26.23 7.39 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.224 -0.922 . . . . 0.0 109.87 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.485 ' CE2' HD21 ' A' ' 31' ' ' LEU . 91.2 m-85 -127.66 -14.13 5.22 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.078 -1.014 . . . . 0.0 109.68 -179.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER 166.88 -47.94 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . 173.07 12.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.688 HD12 ' CE2' ' A' ' 91' ' ' PHE . 2.4 pt -94.42 10.5 4.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 O-C-N 121.224 -1.162 . . . . 0.0 109.461 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.688 ' CE2' HD12 ' A' ' 90' ' ' ILE . 70.9 m-85 -154.67 44.97 0.52 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.279 -0.888 . . . . 0.0 109.562 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 1.5 m -78.95 77.18 5.42 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.086 -1.009 . . . . 0.0 109.288 179.799 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.9 t -55.26 134.22 49.76 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.227 -0.921 . . . . 0.0 109.66 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.9 t -85.43 -164.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.331 -0.856 . . . . 0.0 109.41 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.34 -8.2 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.278 -0.889 . . . . 0.0 109.457 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.44 -179.92 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.3 t30 . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.7 HD11 ' HZ1' ' A' ' 80' ' ' LYS . 0.4 OUTLIER -108.15 -26.14 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 O-C-N 121.27 -0.894 . . . . 0.0 109.43 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 m 55.06 -106.76 0.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.284 -0.885 . . . . 0.0 109.377 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -178.73 135.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.244 -0.91 . . . . 0.0 109.48 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.453 ' CE1' HD11 ' A' ' 86' ' ' LEU . 48.7 p-80 -76.45 44.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.222 -0.924 . . . . 0.0 109.384 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.33 139.55 32.97 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.187 -0.946 . . . . 0.0 109.496 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.73 132.31 51.12 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.293 -0.88 . . . . 0.0 109.474 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -87.43 98.47 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 O-C-N 121.298 -0.876 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.68 13.22 5.14 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.229 -0.919 . . . . 0.0 109.39 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.54 123.89 45.36 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.29 -0.881 . . . . 0.0 109.389 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -117.42 119.32 34.72 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.169 -0.957 . . . . 0.0 109.379 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 169.09 17.88 Favored Pre-proline 0 CA--C 1.532 0.268 0 O-C-N 121.256 -0.903 . . . . 0.0 109.205 179.831 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -90.41 163.48 4.47 Favored 'Trans proline' 0 N--CA 1.479 0.634 1 C-N-CA 125.388 4.059 . . . . 0.0 110.575 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -56.02 175.94 0.09 Allowed 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.301 -0.875 . . . . 0.0 109.275 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 55.22 28.95 11.9 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 121.25 -0.906 . . . . 0.0 108.851 -179.783 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.3 t -162.27 155.57 20.48 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.366 -0.834 . . . . 0.0 109.465 -179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -129.06 153.71 19.93 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.3 t -71.58 140.93 50.01 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.234 -1.156 . . . . 0.0 109.574 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.476 ' CZ ' ' NE2' ' A' ' 21' ' ' HIS . 1.8 t80 -146.64 48.85 1.16 Allowed 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.252 -0.905 . . . . 0.0 109.569 -179.738 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.565 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 10.2 ttm180 -90.77 92.21 8.7 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.494 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.604 ' NE2' HD11 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -160.07 -164.11 1.24 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 120.808 -1.182 . . . . 0.0 109.691 -179.929 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.604 HD11 ' NE2' ' A' ' 21' ' ' HIS . 1.7 mt 72.64 -52.75 0.7 Allowed 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -178.838 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.34 18.53 12.19 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 178.61 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 68.24 -0.45 2.16 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.497 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.91 104.35 2.29 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.114 -0.991 . . . . 0.0 109.113 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.565 ' HB2' ' HA ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -128.75 -103.68 0.31 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.97 -1.081 . . . . 0.0 109.367 179.305 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 175.57 177.61 0.19 Allowed 'General case' 0 N--CA 1.465 0.285 0 O-C-N 120.78 -1.2 . . . . 0.0 110.083 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.4 m -96.7 132.27 42.54 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.342 -0.849 . . . . 0.0 109.478 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.33 139.03 45.94 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.515 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -54.17 152.05 6.5 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.225 -0.922 . . . . 0.0 109.693 -179.386 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.479 HD23 ' CD1' ' A' ' 90' ' ' ILE . 43.7 mt -60.2 -164.86 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 O-C-N 121.264 -0.898 . . . . 0.0 109.914 -179.709 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.63 163.51 27.25 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.243 -0.911 . . . . 0.0 109.702 -179.776 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.7 m120 56.87 17.79 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.416 -0.802 . . . . 0.0 109.593 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.77 177.11 5.61 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.243 -0.911 . . . . 0.0 109.324 179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -160.95 -175.4 4.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -112.4 142.09 45.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.359 -0.838 . . . . 0.0 109.682 -179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' OE1' HG11 ' A' ' 42' ' ' VAL . 5.7 tt0 -153.4 64.82 0.75 Allowed 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.326 -0.859 . . . . 0.0 109.355 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.4 -103.62 1.99 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 63.8 m-20 -125.91 2.19 7.34 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.238 -1.154 . . . . 0.0 109.331 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.49 140.31 48.31 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.331 -0.856 . . . . 0.0 108.988 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 74.3 m -78.26 144.22 36.37 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.065 -1.022 . . . . 0.0 109.395 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.474 HG11 ' OE1' ' A' ' 37' ' ' GLU . 30.7 m -121.58 175.57 4.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 O-C-N 121.196 -0.94 . . . . 0.0 109.79 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.85 137.46 57.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.291 -0.881 . . . . 0.0 109.655 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -106.6 115.28 60.89 Favored Pre-proline 0 CA--C 1.536 0.429 0 O-C-N 121.329 -0.857 . . . . 0.0 109.485 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -89.33 -15.52 2.34 Favored 'Trans proline' 0 N--CA 1.479 0.63 0 C-N-CA 124.739 3.626 . . . . 0.0 110.168 179.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.28 84.53 35.34 Favored Pre-proline 0 C--N 1.331 -0.225 0 O-C-N 121.344 -0.847 . . . . 0.0 109.234 179.869 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -90.83 132.39 1.61 Allowed 'Trans proline' 0 N--CA 1.476 0.492 1 C-N-CA 125.661 4.241 . . . . 0.0 110.664 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.421 HG23 ' HG2' ' A' ' 51' ' ' GLU . 14.2 t -141.25 -158.94 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.336 -0.852 . . . . 0.0 109.256 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.86 -26.36 4.45 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.61 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -70.84 2.5 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.265 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HG2' HG23 ' A' ' 48' ' ' THR . 10.5 pt-20 -100.35 48.14 0.92 Allowed 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.428 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p30 43.08 73.57 0.14 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.421 0.629 . . . . 0.0 109.72 -178.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.486 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.3 OUTLIER 63.5 90.28 0.08 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 122.653 1.216 . . . . 0.0 108.587 -179.379 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.54 37.78 3.47 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 107.709 -2.157 . . . . 0.0 107.709 179.701 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.825 ' O ' HG22 ' A' ' 90' ' ' ILE . . . 128.26 -14.87 6.17 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 107.765 -2.134 . . . . 0.0 107.765 -178.585 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.486 ' C ' HD22 ' A' ' 53' ' ' ASN . 56.9 m -112.08 132.41 54.85 Favored 'General case' 0 N--CA 1.461 0.112 0 O-C-N 121.365 -1.079 . . . . 0.0 108.585 179.051 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.452 ' HB2' ' HB2' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -43.71 135.99 3.64 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.298 0.571 . . . . 0.0 110.298 -179.08 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.5 -34.08 56.76 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.458 -0.776 . . . . 0.0 109.741 -179.496 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.5 5.89 50.05 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.219 -0.926 . . . . 0.0 109.541 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.452 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . . . -102.0 172.32 6.99 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.142 -0.974 . . . . 0.0 109.933 -179.695 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.79 136.88 34.57 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.455 -0.778 . . . . 0.0 108.913 179.52 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.412 ' SG ' HD12 ' A' ' 74' ' ' ILE . 12.6 t -112.7 136.97 51.67 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 121.286 -0.884 . . . . 0.0 109.473 -179.793 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 p -123.78 140.18 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.215 -0.928 . . . . 0.0 109.447 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.93 -19.05 2.05 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.322 -0.861 . . . . 0.0 109.398 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' ' 65' ' ' GLU . 7.7 pt-20 -74.47 75.15 1.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.281 -0.887 . . . . 0.0 109.509 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -122.39 -87.42 0.64 Allowed 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.27 -0.894 . . . . 0.0 109.435 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 m -102.91 -96.43 0.3 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.187 -0.946 . . . . 0.0 109.393 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.31 88.47 1.91 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.44 -58.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.228 -1.16 . . . . 0.0 109.46 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.39 46.7 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.201 -0.937 . . . . 0.0 109.44 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.8 108.9 0.8 Allowed Glycine 0 CA--C 1.529 0.95 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -62.87 130.03 43.05 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.277 -1.131 . . . . 0.0 109.447 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 124.55 49.72 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.232 -0.918 . . . . 0.0 109.431 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.545 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.5 mm -117.33 106.8 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 121.265 -0.897 . . . . 0.0 109.353 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.03 157.07 17.98 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.209 -0.932 . . . . 0.0 109.542 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 17.0 m -136.98 152.31 50.0 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 121.254 -0.904 . . . . 0.0 109.364 -179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -165.96 109.92 0.81 Allowed 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.251 -0.906 . . . . 0.0 109.37 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 31.9 m -61.14 117.06 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.191 -0.943 . . . . 0.0 109.58 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 79' ' ' THR . 10.4 t -78.2 43.95 0.47 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.244 -0.91 . . . . 0.0 109.116 179.714 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.7 ' HZ1' HD11 ' A' ' 2' ' ' ILE . 1.9 mtmp? -122.28 169.7 9.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 O-C-N 121.359 -0.838 . . . . 0.0 109.319 -179.748 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -82.13 -35.04 0.39 Allowed 'Trans proline' 0 N--CA 1.479 0.642 0 C-N-CA 124.989 3.793 . . . . 0.0 109.598 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -90.78 19.56 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.184 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.5 p -55.07 98.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.623 -0.673 . . . . 0.0 109.612 -179.725 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -127.04 71.53 75.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 O-C-N 121.314 -0.866 . . . . 0.0 109.178 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -30.05 148.18 0.02 OUTLIER 'Trans proline' 0 N--CA 1.482 0.816 1 C-N-CA 126.206 4.604 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' A' ' 91' ' ' PHE . 55.1 mt -102.47 -30.39 11.03 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 121.257 -0.902 . . . . 0.0 109.66 -179.806 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.597 ' CD2' HD11 ' A' ' 90' ' ' ILE . 88.6 m-85 -130.85 -18.75 3.0 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.098 -1.001 . . . . 0.0 109.709 -179.704 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 169.07 -40.8 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.754 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.97 23.59 0.02 OUTLIER Glycine 0 CA--C 1.528 0.902 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 -179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.825 HG22 ' O ' ' A' ' 55' ' ' GLY . 24.8 pt -96.4 -33.22 4.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 O-C-N 121.151 -1.205 . . . . 0.0 109.108 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.776 ' HB2' HD12 ' A' ' 86' ' ' LEU . 21.4 m-85 -136.51 120.28 17.35 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.39 -0.819 . . . . 0.0 109.383 179.755 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -82.31 -164.84 0.89 Allowed 'General case' 0 N--CA 1.464 0.249 0 O-C-N 120.991 -1.068 . . . . 0.0 109.376 179.727 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.86 177.84 10.57 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.381 -0.825 . . . . 0.0 109.436 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.1 -46.04 3.12 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.211 -0.93 . . . . 0.0 109.396 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.6 t -175.27 -44.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.216 -0.928 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.946 -1.026 . . . . 0.0 109.413 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 mm -79.41 94.21 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 121.195 -0.94 . . . . 0.0 109.488 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -77.81 104.73 8.54 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.298 -0.877 . . . . 0.0 109.435 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.406 ' HB3' ' CD2' ' A' ' 5' ' ' HIS . 7.1 tt0 -175.05 -53.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.271 -0.893 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.419 ' CD2' ' HB2' ' A' ' 93' ' ' SER . 0.0 OUTLIER -114.12 3.7 15.33 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.224 -0.923 . . . . 0.0 109.348 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -92.05 4.0 54.05 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.296 -0.877 . . . . 0.0 109.363 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.3 m 55.92 -173.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.242 -0.911 . . . . 0.0 109.556 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 9' ' ' LYS . 13.4 p -153.85 -38.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 O-C-N 121.317 -0.864 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.473 ' N ' HG13 ' A' ' 8' ' ' VAL . 2.1 ttpm? -101.57 -31.87 10.64 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.293 -0.879 . . . . 0.0 109.392 179.889 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' HZ1' ' C ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -55.39 166.32 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.335 -0.853 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -155.03 56.53 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.295 -0.878 . . . . 0.0 109.564 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.3 m -54.8 170.92 0.32 Allowed Pre-proline 0 CA--C 1.533 0.297 0 O-C-N 121.261 -0.9 . . . . 0.0 109.338 179.826 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -88.71 161.39 6.33 Favored 'Trans proline' 0 N--CA 1.479 0.62 1 C-N-CA 125.334 4.023 . . . . 0.0 110.335 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -54.64 174.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 O-C-N 121.281 -0.887 . . . . 0.0 109.526 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.437 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 20.1 m-20 55.82 25.96 9.05 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.2 -0.937 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 t -163.56 120.9 1.82 Allowed 'General case' 0 CA--C 1.533 0.317 0 O-C-N 121.254 -0.903 . . . . 0.0 109.714 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' HA3' ' CZ ' ' A' ' 91' ' ' PHE . . . -94.5 170.49 29.8 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -105.93 159.4 16.06 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.237 -1.155 . . . . 0.0 109.703 -179.789 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.68 ' CE2' HD12 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -139.42 116.27 10.87 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.212 -0.93 . . . . 0.0 108.78 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.96 81.59 1.69 Allowed 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.107 -0.996 . . . . 0.0 109.795 -179.622 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.456 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 1.2 p80 -179.68 -48.81 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.182 -0.949 . . . . 0.0 110.274 179.496 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.68 HD12 ' CE2' ' A' ' 19' ' ' PHE . 12.7 mt -76.79 1.61 16.82 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.073 -1.017 . . . . 0.0 109.906 -179.432 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.52 6.24 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.29 -0.881 . . . . 0.0 108.904 179.785 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 54.1 20.08 2.37 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.46 -0.775 . . . . 0.0 109.481 -179.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -133.57 146.15 50.73 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.288 -0.883 . . . . 0.0 109.295 -179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' C ' ' HZ1' ' A' ' 10' ' ' LYS . 7.3 mt-10 -92.34 125.32 36.95 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.286 -0.884 . . . . 0.0 109.423 179.926 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -136.97 162.84 32.19 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 121.304 -0.872 . . . . 0.0 109.529 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.8 m -119.27 97.79 5.84 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.324 -0.86 . . . . 0.0 109.334 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.36 133.72 42.37 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.249 -0.907 . . . . 0.0 108.991 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.6 m -60.1 158.74 10.66 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.107 -0.995 . . . . 0.0 109.364 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' A' ' 87' ' ' PHE . 92.2 mt -79.86 -168.41 1.6 Allowed 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.205 -0.935 . . . . 0.0 109.593 -179.8 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.0 mt -68.44 157.69 35.3 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.289 -0.882 . . . . 0.0 109.398 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 59.4 15.37 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.26 -0.9 . . . . 0.0 109.47 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 15' ' ' ASN . 19.3 m-85 -132.0 118.59 19.92 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.382 -0.824 . . . . 0.0 109.491 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -97.42 -173.69 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -120.49 121.72 39.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.502 -0.749 . . . . 0.0 109.61 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.79 97.56 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.334 -0.854 . . . . 0.0 109.297 179.72 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.37 -98.1 1.62 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 109.365 -1.494 . . . . 0.0 109.365 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -134.13 8.4 3.74 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.227 -1.16 . . . . 0.0 109.267 179.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.37 122.05 25.69 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.31 -0.869 . . . . 0.0 109.338 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 64.0 m -69.88 143.09 52.9 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.123 -0.986 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.9 m -123.81 178.37 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 O-C-N 121.124 -0.985 . . . . 0.0 109.494 179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.09 134.1 42.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 121.234 -0.916 . . . . 0.0 109.38 -179.927 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.472 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.7 t-20 -109.43 128.39 25.49 Favored Pre-proline 0 CA--C 1.536 0.418 0 O-C-N 121.331 -0.856 . . . . 0.0 109.362 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 17.5 Cg_endo -90.73 -15.99 1.63 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 124.662 3.575 . . . . 0.0 110.041 179.662 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -148.99 85.88 5.84 Favored Pre-proline 0 C--N 1.33 -0.272 0 O-C-N 121.32 -0.862 . . . . 0.0 109.453 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -89.76 160.05 5.14 Favored 'Trans proline' 0 N--CA 1.477 0.539 1 C-N-CA 125.487 4.125 . . . . 0.0 110.102 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.511 ' HA ' HD11 ' A' ' 74' ' ' ILE . 9.6 t -152.21 -168.25 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.13 -0.981 . . . . 0.0 109.825 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.7 m -104.2 -20.63 13.74 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.284 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -62.0 -13.1 22.56 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' CD ' ' H ' ' A' ' 48' ' ' THR . 2.0 mt-10 -75.13 52.07 0.56 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.18 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 p30 42.03 59.91 2.43 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.299 0.571 . . . . 0.0 109.909 -178.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.469 HD22 ' C ' ' A' ' 57' ' ' ASP . 6.6 t30 67.0 55.89 0.69 Allowed 'General case' 0 N--CA 1.461 0.123 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -179.48 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.11 -49.7 15.27 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.9 -13.07 78.59 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.17 151.57 28.05 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.051 -1.264 . . . . 0.0 110.563 -179.507 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.469 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.2 OUTLIER -57.62 -94.3 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 O-C-N 121.374 -0.829 . . . . 0.0 109.722 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.81 -27.29 0.49 Allowed 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.08 -13.83 10.56 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.174 -0.954 . . . . 0.0 109.607 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.79 139.19 53.2 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.165 -0.96 . . . . 0.0 109.38 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mmtt -69.51 132.25 45.99 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.132 -0.98 . . . . 0.0 109.6 -179.821 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.16 161.02 14.29 Favored 'General case' 0 C--N 1.331 -0.196 0 O-C-N 121.494 -0.754 . . . . 0.0 109.327 -179.895 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.78 173.85 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.269 -0.894 . . . . 0.0 109.402 179.928 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -145.52 42.93 1.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.239 -0.913 . . . . 0.0 109.324 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -80.55 141.31 35.22 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.29 -0.881 . . . . 0.0 109.506 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -55.66 154.54 6.65 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.206 -0.934 . . . . 0.0 109.409 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.45 -26.16 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.239 -0.913 . . . . 0.0 109.411 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.81 82.51 1.51 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.8 m -137.17 -80.46 0.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.279 -1.13 . . . . 0.0 109.447 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -155.23 -81.35 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.269 -0.895 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -96.86 -111.87 2.85 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.65 177.37 4.78 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.171 -1.194 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -147.79 155.1 41.32 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.292 -0.88 . . . . 0.0 109.558 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 48' ' ' THR . 0.5 OUTLIER -140.9 149.51 20.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 O-C-N 121.314 -0.867 . . . . 0.0 109.164 179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.38 154.05 49.01 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.181 -0.949 . . . . 0.0 109.624 -179.774 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -160.61 134.53 7.04 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.234 -0.916 . . . . 0.0 109.547 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -144.88 138.98 27.35 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.313 -0.867 . . . . 0.0 109.125 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.02 126.34 35.38 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.183 -0.948 . . . . 0.0 109.246 -179.821 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.418 ' H ' HG22 ' A' ' 79' ' ' THR . 3.3 t -82.67 17.18 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.287 -0.883 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -89.23 169.05 13.76 Favored Pre-proline 0 C--N 1.329 -0.318 0 O-C-N 121.299 -0.876 . . . . 0.0 109.28 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.405 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 10.1 Cg_endo -84.95 127.86 3.62 Favored 'Trans proline' 0 N--CA 1.477 0.55 0 C-N-CA 124.868 3.712 . . . . 0.0 109.275 179.323 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER 72.81 -52.71 0.71 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.881 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.404 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.3 OUTLIER 61.08 158.87 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.468 -0.77 . . . . 0.0 110.092 179.264 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 83' ' ' SER . 54.7 m-85 -151.31 99.44 3.03 Favored Pre-proline 0 C--N 1.328 -0.341 0 O-C-N 121.389 -0.819 . . . . 0.0 108.841 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.563 ' O ' HD23 ' A' ' 86' ' ' LEU . 9.4 Cg_endo -87.29 163.94 8.34 Favored 'Trans proline' 0 N--CA 1.478 0.594 0 C-N-CA 125.189 3.926 . . . . 0.0 110.464 -179.455 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 85' ' ' PRO . 47.6 mt -125.66 -13.09 6.54 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 121.292 -0.88 . . . . 0.0 109.599 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.447 ' CD2' HD22 ' A' ' 31' ' ' LEU . 98.8 m-85 -146.45 -13.67 0.45 Allowed 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.135 -0.978 . . . . 0.0 109.802 -179.707 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 166.64 -50.43 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.43 ' H ' ' H ' ' A' ' 90' ' ' ILE . . . 178.43 5.97 0.02 OUTLIER Glycine 0 CA--C 1.529 0.939 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.894 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.748 HD12 ' CE1' ' A' ' 91' ' ' PHE . 0.4 OUTLIER -83.88 2.91 3.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 O-C-N 121.348 -1.089 . . . . 0.0 109.32 179.889 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.748 ' CE1' HD12 ' A' ' 90' ' ' ILE . 37.1 m-85 -141.76 49.12 1.6 Allowed 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.161 -0.962 . . . . 0.0 109.456 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 61.8 m -58.42 -171.05 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.133 -0.98 . . . . 0.0 109.92 -179.845 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.419 ' HB2' ' CD2' ' A' ' 5' ' ' HIS . 0.0 OUTLIER 175.1 162.56 0.24 Allowed 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.328 -0.857 . . . . 0.0 109.164 179.945 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.14 156.95 17.61 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.159 -0.963 . . . . 0.0 109.605 -179.833 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.16 165.8 10.85 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.304 -0.873 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 54.1 t30 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 117.959 -1.02 . . . . 0.0 109.497 179.98 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 CA--C 1.53 0.185 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.9 mm -67.11 96.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 O-C-N 121.184 -0.948 . . . . 0.0 109.464 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.52 10.54 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.22 -0.925 . . . . 0.0 109.37 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -65.4 -79.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 O-C-N 121.224 -0.923 . . . . 0.0 109.448 -179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.461 ' CD2' ' CZ ' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -158.45 -2.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.207 -0.933 . . . . 0.0 109.519 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.402 ' H ' ' H ' ' A' ' 5' ' ' HIS . 7.7 mp0 -55.22 -72.05 0.07 Allowed 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.232 -0.918 . . . . 0.0 109.158 179.819 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 p 175.4 -102.77 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 O-C-N 121.04 -1.038 . . . . 0.0 109.199 179.59 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.646 HG21 ' HD3' ' A' ' 25' ' ' ARG . 50.7 t -145.25 -77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 O-C-N 121.045 -1.034 . . . . 0.0 109.442 179.896 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -155.97 -3.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -63.57 129.62 40.95 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.194 -0.941 . . . . 0.0 109.289 179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -97.9 116.51 30.26 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.268 -0.895 . . . . 0.0 109.583 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -95.87 174.69 3.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 O-C-N 121.25 -0.906 . . . . 0.0 109.272 179.785 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -89.44 163.62 5.44 Favored 'Trans proline' 0 N--CA 1.477 0.5 1 C-N-CA 125.53 4.153 . . . . 0.0 110.336 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -54.78 174.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.305 -0.872 . . . . 0.0 109.422 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.849 ' HA ' HD12 ' A' ' 31' ' ' LEU . 4.6 m120 58.63 16.7 4.5 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.206 -0.934 . . . . 0.0 109.304 -179.835 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.9 t -168.3 121.8 0.88 Allowed 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.126 -0.984 . . . . 0.0 110.136 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.17 -148.97 16.76 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.267 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.6 p -142.2 143.52 32.97 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.004 -1.292 . . . . 0.0 109.827 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.461 ' CZ ' ' CD2' ' A' ' 5' ' ' HIS . 24.5 t80 -148.67 168.61 22.4 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 121.061 -1.024 . . . . 0.0 109.758 179.061 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.527 ' HA ' ' HB2' ' A' ' 26' ' ' GLU . 8.0 mtp180 -114.93 121.18 42.39 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 178.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.472 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 0.6 OUTLIER -77.03 39.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 120.535 -1.353 . . . . 0.0 109.375 -179.637 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.708 HD11 ' OD1' ' A' ' 59' ' ' ASP . 2.2 mt 66.81 2.65 2.7 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.833 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 21' ' ' HIS . 13.6 p-10 -96.4 35.5 1.47 Allowed 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.736 -0.602 . . . . 0.0 109.617 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 71.09 -38.4 0.42 Allowed 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.5 -0.75 . . . . 0.0 110.782 179.553 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.646 ' HD3' HG21 ' A' ' 8' ' ' VAL . 2.8 mtt180 -162.97 113.11 1.4 Allowed 'General case' 0 C--N 1.333 -0.143 0 O-C-N 120.786 -1.196 . . . . 0.0 110.607 -179.693 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.527 ' HB2' ' HA ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -91.97 -89.55 0.18 Allowed 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 121.048 -1.033 . . . . 0.0 109.852 179.312 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' H ' ' HB3' ' A' ' 26' ' ' GLU . 1.6 mt-10 166.35 -174.02 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 -179.681 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.3 m -77.41 113.58 15.35 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.431 -0.793 . . . . 0.0 109.211 179.609 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 ttmm -105.35 140.75 38.01 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.217 -0.927 . . . . 0.0 108.988 179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 2.8 m -60.78 161.04 8.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.076 -1.015 . . . . 0.0 109.555 -179.755 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.849 HD12 ' HA ' ' A' ' 15' ' ' ASN . 20.5 mt -78.7 -166.05 0.82 Allowed 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.196 -0.94 . . . . 0.0 109.653 -179.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.881 HD12 HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -70.6 156.65 39.16 Favored 'General case' 0 C--N 1.332 -0.192 0 O-C-N 121.258 -0.901 . . . . 0.0 109.678 -179.885 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 57.73 16.43 3.5 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.362 -0.836 . . . . 0.0 109.5 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 16.6 m-85 -129.52 117.79 21.04 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.405 -0.809 . . . . 0.0 109.135 179.85 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 5.3 ptmt -97.88 -175.1 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.257 -0.902 . . . . 0.0 109.339 179.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -127.47 132.63 49.98 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.553 -0.717 . . . . 0.0 109.445 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -139.28 74.01 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.281 -0.887 . . . . 0.0 109.389 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.58 -99.38 1.29 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -133.48 6.83 3.82 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.276 -1.132 . . . . 0.0 109.344 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -134.19 127.15 31.38 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.371 -0.83 . . . . 0.0 109.35 179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.3 m -79.07 144.13 34.9 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.2 -0.937 . . . . 0.0 109.392 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.401 ' CG2' ' HG3' ' A' ' 35' ' ' LYS . 22.5 m -121.43 179.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 121.203 -0.936 . . . . 0.0 109.426 179.884 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -72.51 122.98 22.22 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 121.232 -0.918 . . . . 0.0 109.689 -179.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.433 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 14.4 t-20 -100.54 115.73 65.07 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 121.347 -0.846 . . . . 0.0 109.138 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 12.1 Cg_endo -89.08 -14.74 2.66 Favored 'Trans proline' 0 N--CA 1.479 0.623 0 C-N-CA 124.791 3.661 . . . . 0.0 110.36 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -131.11 89.15 42.89 Favored Pre-proline 0 CA--C 1.532 0.278 0 O-C-N 121.189 -0.944 . . . . 0.0 109.697 -179.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -90.71 161.38 4.2 Favored 'Trans proline' 0 N--CA 1.478 0.568 1 C-N-CA 125.488 4.126 . . . . 0.0 109.792 179.768 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.866 HG21 ' CG ' ' A' ' 51' ' ' GLU . 14.4 t -140.93 -154.6 0.53 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.013 -1.055 . . . . 0.0 110.272 -179.498 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.487 ' N ' HG23 ' A' ' 48' ' ' THR . 21.4 m -152.92 -44.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 -179.598 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -62.91 -8.47 7.15 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.408 -0.808 . . . . 0.0 109.437 -179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.866 ' CG ' HG21 ' A' ' 48' ' ' THR . 42.3 mm-40 -83.55 56.57 3.66 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 121.143 -0.973 . . . . 0.0 108.722 179.49 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.3 p30 41.33 62.57 1.46 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.036 0.446 . . . . 0.0 110.512 -179.428 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 68.88 86.44 0.13 Allowed 'General case' 0 N--CA 1.464 0.232 0 O-C-N 121.557 -0.714 . . . . 0.0 109.8 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.44 -22.81 32.48 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 108.451 -1.86 . . . . 0.0 108.451 178.537 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.709 ' O ' HG22 ' A' ' 90' ' ' ILE . . . 160.66 11.0 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 107.546 -2.222 . . . . 0.0 107.546 -179.783 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.533 ' O ' ' O ' ' A' ' 57' ' ' ASP . 9.0 m -98.02 66.03 1.81 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 118.84 -1.144 . . . . 0.0 110.253 -179.525 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.533 ' O ' ' O ' ' A' ' 56' ' ' CYS . 2.0 t0 39.12 119.27 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 122.335 1.064 . . . . 0.0 112.844 179.591 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.63 -17.69 0.56 Allowed 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.821 -1.175 . . . . 0.0 110.308 178.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.708 ' OD1' HD11 ' A' ' 22' ' ' LEU . 7.2 m-20 -104.71 -17.69 14.55 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 120.983 -1.073 . . . . 0.0 109.632 179.536 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.528 ' H ' ' HB3' ' A' ' 57' ' ' ASP . . . -83.61 141.65 31.39 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 121.125 -0.985 . . . . 0.0 109.378 179.787 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -72.04 126.39 29.66 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.241 -0.912 . . . . 0.0 109.412 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -86.55 140.7 29.64 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 121.195 -0.941 . . . . 0.0 109.375 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.1 142.21 40.21 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.222 -0.923 . . . . 0.0 109.634 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.22 13.17 3.88 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.274 -0.891 . . . . 0.0 109.496 -179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -53.74 154.4 3.85 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.359 -0.838 . . . . 0.0 109.619 -179.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.46 153.7 5.36 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.307 -0.87 . . . . 0.0 109.568 -179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.403 ' H ' ' H ' ' A' ' 68' ' ' GLY . 5.2 p -161.73 -18.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.209 -0.932 . . . . 0.0 109.369 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.403 ' H ' ' H ' ' A' ' 67' ' ' SER . . . 156.55 -169.41 33.91 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.02 -177.19 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.143 -1.21 . . . . 0.0 109.454 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -111.48 -37.9 5.1 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.289 -0.882 . . . . 0.0 109.444 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -72.56 -105.3 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.86 138.91 28.96 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.31 -1.112 . . . . 0.0 109.372 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.72 138.08 40.85 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.207 -0.933 . . . . 0.0 109.509 -179.898 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.0 mm -122.77 141.62 42.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 O-C-N 121.239 -0.913 . . . . 0.0 109.403 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 m -148.58 150.17 32.85 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.165 -0.959 . . . . 0.0 109.631 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.465 ' SG ' HD11 ' A' ' 32' ' ' LEU . 2.8 m -107.47 158.53 17.13 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.306 -0.872 . . . . 0.0 109.239 179.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -150.03 94.4 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.226 -0.921 . . . . 0.0 109.451 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.8 m -66.78 112.21 4.12 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.262 -0.898 . . . . 0.0 109.507 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 79' ' ' THR . 15.4 t -80.45 44.2 0.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.263 -0.898 . . . . 0.0 109.509 -179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -126.15 168.24 14.71 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 121.256 -0.903 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -85.01 -42.09 0.07 OUTLIER 'Trans proline' 0 N--CA 1.479 0.63 0 C-N-CA 125.063 3.842 . . . . 0.0 109.902 179.841 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.02 18.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.341 -0.85 . . . . 0.0 108.941 179.535 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.0 p -62.01 109.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.353 -0.842 . . . . 0.0 109.663 -179.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -135.07 70.49 69.72 Favored Pre-proline 0 C--N 1.327 -0.384 0 O-C-N 121.375 -0.828 . . . . 0.0 109.213 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -30.84 112.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.481 0.771 1 C-N-CA 126.199 4.599 . . . . 0.0 111.093 -179.823 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.11 -19.98 59.67 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.252 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.509 ' CG ' HD22 ' A' ' 31' ' ' LEU . 54.8 m-85 -133.13 -107.27 0.24 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.536 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.48 29.77 7.78 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.584 -0.697 . . . . 0.0 109.963 179.753 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 106.65 -16.24 40.69 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 119.616 -1.278 . . . . 0.0 110.343 179.349 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.881 HG23 HD12 ' A' ' 32' ' ' LEU . 14.6 pt -55.0 -34.66 32.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 O-C-N 121.127 -1.22 . . . . 0.0 109.374 -179.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.804 ' CE2' HD12 ' A' ' 90' ' ' ILE . 20.2 m-85 -135.74 125.36 25.28 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 121.317 -0.864 . . . . 0.0 109.502 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -109.86 137.43 47.67 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.323 -0.86 . . . . 0.0 109.363 179.817 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.86 54.16 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.204 -0.935 . . . . 0.0 109.687 -179.841 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.77 148.56 28.85 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.196 -0.94 . . . . 0.0 109.321 179.867 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.32 -61.69 1.71 Allowed 'General case' 0 CA--C 1.53 0.212 0 O-C-N 121.187 -0.945 . . . . 0.0 109.508 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.451 179.992 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 mm 57.81 45.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 O-C-N 121.249 -0.907 . . . . 0.0 109.427 -179.932 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -130.04 50.79 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.302 -0.874 . . . . 0.0 109.534 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -150.23 -45.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.261 -0.899 . . . . 0.0 109.377 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.97 -19.88 14.43 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.271 -0.893 . . . . 0.0 109.269 179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.25 -11.87 17.32 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.31 -0.869 . . . . 0.0 109.284 179.813 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.71 151.14 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.451 -0.781 . . . . 0.0 109.517 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.827 HG12 ' H ' ' A' ' 9' ' ' LYS . 2.0 t -60.87 -159.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 O-C-N 121.29 -0.881 . . . . 0.0 110.518 -178.78 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.827 ' H ' HG12 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -80.33 60.9 3.93 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.169 -0.957 . . . . 0.0 109.347 -179.818 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.497 ' HZ3' ' CB ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -66.54 -144.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.418 -0.801 . . . . 0.0 109.325 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.72 101.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.142 -0.974 . . . . 0.0 109.658 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.2 m -117.35 170.82 5.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 121.255 -0.903 . . . . 0.0 109.079 179.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -88.9 165.28 5.95 Favored 'Trans proline' 0 N--CA 1.478 0.59 1 C-N-CA 125.433 4.089 . . . . 0.0 110.466 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -54.71 168.99 0.23 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.241 -0.912 . . . . 0.0 109.439 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.786 ' HA ' HD12 ' A' ' 31' ' ' LEU . 5.5 m120 55.15 34.79 23.38 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.289 -0.882 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.4 t -167.15 120.21 0.96 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.268 -0.895 . . . . 0.0 109.669 -179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -99.6 173.51 26.02 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -80.56 161.33 24.83 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 121.357 -1.084 . . . . 0.0 109.712 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 10.0 t80 -170.22 107.28 0.33 Allowed 'General case' 0 C--N 1.331 -0.222 0 O-C-N 121.267 -0.896 . . . . 0.0 109.333 179.86 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 21' ' ' HIS . 20.5 ttp85 -105.93 81.03 1.6 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.198 -0.939 . . . . 0.0 109.559 -179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' A' ' 94' ' ' SER . 88.8 m-70 -154.31 -177.16 6.26 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 121.201 -0.937 . . . . 0.0 110.138 -179.885 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.603 HD23 ' N ' ' A' ' 22' ' ' LEU . 5.1 mt 71.5 -47.18 0.66 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.066 0.46 . . . . 0.0 110.158 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.45 14.88 13.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.285 -0.885 . . . . 0.0 108.645 179.703 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 55.23 19.66 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.476 -0.765 . . . . 0.0 109.222 -179.56 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' HB3' HH11 ' A' ' 25' ' ' ARG . 0.1 OUTLIER -128.7 160.31 32.9 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.332 -0.855 . . . . 0.0 108.972 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CB ' ' HZ3' ' A' ' 10' ' ' LYS . 43.0 mt-10 -75.04 143.68 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.205 -0.934 . . . . 0.0 109.815 -179.654 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -152.91 162.25 41.53 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.298 -0.876 . . . . 0.0 109.117 179.769 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.8 m -112.2 112.56 24.25 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.15 -0.969 . . . . 0.0 109.479 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -104.24 139.59 39.04 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.1 m -57.99 165.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 120.91 -1.119 . . . . 0.0 109.72 -179.399 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 15' ' ' ASN . 17.1 mt -76.92 -165.27 0.53 Allowed 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.282 -0.886 . . . . 0.0 109.921 -179.441 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.581 HD12 ' HB2' ' A' ' 88' ' ' ASP . 5.4 mt -71.17 154.94 41.3 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.313 -0.867 . . . . 0.0 109.629 -179.802 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 56.05 18.78 3.32 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 121.226 -0.921 . . . . 0.0 109.53 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 13.8 m-85 -126.2 117.42 23.05 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.244 -0.91 . . . . 0.0 109.316 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' HG3' ' CG2' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -103.32 -174.66 2.6 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.269 -0.894 . . . . 0.0 109.312 179.786 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -103.93 140.42 37.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.584 -0.697 . . . . 0.0 109.514 179.853 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' OE1' HG11 ' A' ' 42' ' ' VAL . 2.1 tt0 -151.88 102.9 2.87 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.194 -0.941 . . . . 0.0 109.347 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.8 -95.46 0.91 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.34 -3.15 2.18 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.312 -1.111 . . . . 0.0 109.444 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.69 134.95 49.59 Favored 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.229 -0.92 . . . . 0.0 109.007 179.909 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 60.3 m -69.96 140.25 52.97 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.12 -0.987 . . . . 0.0 109.362 -179.859 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG11 ' OE1' ' A' ' 37' ' ' GLU . 22.2 m -111.43 175.37 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 O-C-N 121.154 -0.966 . . . . 0.0 109.807 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -83.29 134.48 34.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.566 -0.709 . . . . 0.0 109.709 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.435 HD21 ' C ' ' A' ' 46' ' ' ASN . 1.0 OUTLIER -122.14 120.04 28.44 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 121.297 -0.877 . . . . 0.0 109.251 179.786 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -89.31 -16.53 2.1 Favored 'Trans proline' 0 N--CA 1.478 0.616 0 C-N-CA 124.698 3.599 . . . . 0.0 110.201 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.435 ' C ' HD21 ' A' ' 44' ' ' ASN . 1.6 p30 -127.36 85.93 59.79 Favored Pre-proline 0 CA--C 1.531 0.238 0 O-C-N 121.25 -0.906 . . . . 0.0 109.296 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -88.88 173.96 4.03 Favored 'Trans proline' 0 N--CA 1.478 0.562 1 C-N-CA 125.352 4.035 . . . . 0.0 110.23 -179.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.586 HG23 ' N ' ' A' ' 49' ' ' CYS . 10.1 t -151.57 -134.31 0.06 Allowed 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.157 -0.964 . . . . 0.0 109.863 -179.774 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.586 ' N ' HG23 ' A' ' 48' ' ' THR . 13.3 m -145.38 -42.95 0.22 Allowed 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.345 -0.847 . . . . 0.0 108.872 -179.672 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -65.83 -0.55 2.29 Favored 'General case' 0 C--N 1.332 -0.17 0 O-C-N 121.562 -0.711 . . . . 0.0 109.523 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.541 ' HG2' HG21 ' A' ' 48' ' ' THR . 72.5 mm-40 -95.7 56.96 1.82 Allowed 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 121.206 -0.934 . . . . 0.0 108.693 179.542 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p30 41.39 69.48 0.34 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.183 0.516 . . . . 0.0 110.651 -179.452 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.455 ' ND2' ' HA ' ' A' ' 57' ' ' ASP . 3.4 t-20 59.98 87.49 0.08 Allowed 'General case' 0 N--CA 1.463 0.199 0 O-C-N 121.322 -0.862 . . . . 0.0 108.931 179.785 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -88.04 39.17 3.12 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 107.962 -2.055 . . . . 0.0 107.962 178.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.428 ' O ' HG23 ' A' ' 90' ' ' ILE . . . 128.51 -15.2 6.06 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 107.851 -2.1 . . . . 0.0 107.851 -178.848 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ASP . 35.1 m -111.29 113.63 26.24 Favored 'General case' 0 N--CA 1.463 0.175 0 O-C-N 121.534 -0.98 . . . . 0.0 108.985 179.308 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.455 ' HA ' ' ND2' ' A' ' 53' ' ' ASN . 33.4 t0 -29.48 138.83 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.378 0.608 . . . . 0.0 111.894 -179.157 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.88 -29.61 42.36 Favored 'General case' 0 C--N 1.332 -0.183 0 O-C-N 121.52 -0.738 . . . . 0.0 109.114 -179.652 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.62 -13.89 33.49 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.468 -0.77 . . . . 0.0 109.172 179.714 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.412 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . . . -90.74 156.72 17.87 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 121.184 -0.948 . . . . 0.0 109.729 179.923 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.428 ' CD ' ' H ' ' A' ' 62' ' ' CYS . 0.0 OUTLIER -79.05 167.9 20.42 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.35 -0.843 . . . . 0.0 109.517 179.981 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.428 ' H ' ' CD ' ' A' ' 61' ' ' LYS . 53.3 t -138.44 137.31 37.09 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.273 -0.892 . . . . 0.0 109.431 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 p -125.57 139.76 53.32 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.21 -0.931 . . . . 0.0 109.407 179.845 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.92 1.32 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.415 -0.803 . . . . 0.0 109.364 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' H ' ' CD ' ' A' ' 65' ' ' GLU . 1.4 mp0 -66.41 83.3 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.451 -0.781 . . . . 0.0 109.723 -179.703 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.2 t0 52.04 -119.02 1.39 Allowed 'General case' 0 CA--C 1.531 0.217 0 O-C-N 121.392 -0.817 . . . . 0.0 109.978 179.556 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t 65.69 52.88 1.25 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.22 -0.925 . . . . 0.0 109.425 -179.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.64 -140.0 10.92 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.427 ' H ' ' HG3' ' A' ' 73' ' ' LYS . 12.7 t -164.36 -123.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.288 -1.125 . . . . 0.0 109.438 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.7 t30 60.02 19.61 8.75 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.237 -0.914 . . . . 0.0 109.392 179.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.16 -58.4 5.04 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 114.88 13.15 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 121.256 -1.144 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HG3' ' H ' ' A' ' 69' ' ' SER . 2.3 mmtt -111.63 125.26 53.75 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.27 -0.894 . . . . 0.0 109.467 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.476 ' O ' HG22 ' A' ' 74' ' ' ILE . 0.8 OUTLIER -122.37 118.54 55.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 O-C-N 121.22 -0.925 . . . . 0.0 109.318 179.915 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.19 154.79 21.87 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 121.237 -0.914 . . . . 0.0 109.646 -179.886 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 85.9 m -121.34 140.16 52.47 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.289 -0.882 . . . . 0.0 109.195 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -140.19 107.28 5.46 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.155 -0.966 . . . . 0.0 109.51 -179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.03 104.5 8.63 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.264 -0.898 . . . . 0.0 109.242 179.842 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 79' ' ' THR . 13.8 t -76.12 44.76 0.33 Allowed 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.258 -0.901 . . . . 0.0 109.566 -179.737 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -121.81 168.69 10.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 O-C-N 121.208 -0.932 . . . . 0.0 109.237 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -87.11 -46.4 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 125.167 3.912 . . . . 0.0 109.844 179.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -82.88 19.76 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.387 -0.821 . . . . 0.0 108.79 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 t -56.6 110.79 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.532 -0.73 . . . . 0.0 109.45 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -141.59 70.17 25.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 O-C-N 121.321 -0.862 . . . . 0.0 109.21 -179.854 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -31.08 122.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.481 0.766 1 C-N-CA 126.168 4.578 . . . . 0.0 111.078 -179.879 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.542 HD12 ' CB ' ' A' ' 91' ' ' PHE . 29.1 mt -79.75 -2.88 45.09 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.215 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.555 ' CB ' HD11 ' A' ' 90' ' ' ILE . 82.4 m-85 -151.93 -110.92 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.581 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -110.01 24.35 13.13 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 119.894 -0.722 . . . . 0.0 109.675 179.54 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 103.93 55.14 0.79 Allowed Glycine 0 CA--C 1.53 1.003 0 C-N-CA 119.707 -1.235 . . . . 0.0 110.208 179.466 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.555 HD11 ' CB ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -128.0 -18.56 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 O-C-N 121.131 -1.217 . . . . 0.0 109.221 179.339 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.542 ' CB ' HD12 ' A' ' 86' ' ' LEU . 32.1 m-85 -137.66 57.6 1.72 Allowed 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.325 -0.859 . . . . 0.0 109.508 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.0 m -62.03 -164.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.148 -0.97 . . . . 0.0 109.393 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.03 134.4 40.11 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.22 -0.925 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.423 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 13.0 p -61.3 -173.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.882 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -77.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.266 -0.896 . . . . 0.0 109.5 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 C--O 1.219 -0.539 0 CA-C-O 117.973 -1.013 . . . . 0.0 109.429 179.981 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.187 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.3 mm -104.16 89.95 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 121.313 -0.867 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -115.05 34.41 4.86 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.1 -1.0 . . . . 0.0 109.482 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.409 ' C ' ' H ' ' A' ' 6' ' ' GLN . 3.8 tt0 -154.52 142.59 20.25 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.206 -0.934 . . . . 0.0 109.367 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.53 ' HA ' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER 69.73 -8.64 0.76 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.489 -0.757 . . . . 0.0 109.98 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' ' 4' ' ' GLN . 0.7 OUTLIER -63.92 89.61 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.036 -1.04 . . . . 0.0 109.579 179.792 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.5 m -80.06 164.46 23.38 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.308 -0.87 . . . . 0.0 109.384 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.48 -126.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 O-C-N 121.173 -0.954 . . . . 0.0 109.434 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -69.6 -88.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.167 -0.958 . . . . 0.0 109.329 179.924 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? 57.35 -166.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.232 -0.917 . . . . 0.0 109.399 179.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -154.14 76.84 1.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.167 -0.958 . . . . 0.0 109.523 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.3 m -89.77 116.1 65.52 Favored Pre-proline 0 CA--C 1.538 0.494 0 O-C-N 121.236 -0.915 . . . . 0.0 109.28 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -87.13 177.43 3.93 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 124.433 3.422 . . . . 0.0 110.453 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.75 177.15 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.254 -0.904 . . . . 0.0 109.552 -179.877 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 56.8 19.06 4.16 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.278 -0.889 . . . . 0.0 109.404 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.8 t -173.58 128.18 0.42 Allowed 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.211 -0.931 . . . . 0.0 109.449 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.06 163.32 12.92 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.32 161.69 30.2 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.291 -1.123 . . . . 0.0 109.669 -179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -167.28 116.47 0.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.28 -0.887 . . . . 0.0 109.328 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.53 ' H ' ' HA ' ' A' ' 5' ' ' HIS . 1.3 ttt180 -68.26 113.37 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.297 -0.877 . . . . 0.0 109.048 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.32 140.41 27.12 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.361 -0.837 . . . . 0.0 109.542 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.696 ' H ' HD12 ' A' ' 22' ' ' LEU . 6.4 mp -65.15 -5.02 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.347 -0.846 . . . . 0.0 109.498 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.75 32.95 2.68 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.224 -0.922 . . . . 0.0 109.306 179.722 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 63.09 24.84 14.67 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.22 -0.925 . . . . 0.0 109.55 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -112.8 176.5 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.21 -0.931 . . . . 0.0 109.11 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -136.47 123.12 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.21 -0.931 . . . . 0.0 109.474 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -151.27 161.92 41.85 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.291 -0.881 . . . . 0.0 109.507 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 m -102.35 115.21 30.08 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.312 -0.867 . . . . 0.0 109.359 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -93.3 139.85 30.19 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 121.177 -0.952 . . . . 0.0 108.927 179.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.9 m -56.14 163.49 1.57 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.133 -0.98 . . . . 0.0 109.421 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.516 HD22 ' CD2' ' A' ' 87' ' ' PHE . 69.4 mt -82.95 -169.16 2.37 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.218 -0.926 . . . . 0.0 109.455 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' CD1' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -70.25 156.89 38.64 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.205 -0.934 . . . . 0.0 109.453 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 m120 60.55 14.71 5.08 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.26 -0.9 . . . . 0.0 109.287 -179.716 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 12.7 m-85 -129.74 117.28 20.04 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.474 -0.766 . . . . 0.0 109.285 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.472 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -103.4 -170.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.326 -0.858 . . . . 0.0 109.349 179.899 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -109.45 142.78 39.97 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.657 -0.652 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -154.7 68.56 0.72 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.269 -0.895 . . . . 0.0 109.483 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.39 -111.34 3.68 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -119.73 8.72 11.23 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.291 -1.123 . . . . 0.0 109.481 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.81 133.64 27.24 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.295 -0.878 . . . . 0.0 109.212 179.799 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 38.3 m -70.62 138.04 50.46 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.147 -0.971 . . . . 0.0 109.396 -179.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.472 HG23 ' HG3' ' A' ' 35' ' ' LYS . 34.1 m -108.81 179.54 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 121.256 -0.902 . . . . 0.0 109.405 179.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -77.27 129.91 36.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.28 -0.887 . . . . 0.0 109.308 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.435 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 11.0 t-20 -94.31 113.04 59.84 Favored Pre-proline 0 CA--C 1.535 0.375 0 O-C-N 121.419 -0.8 . . . . 0.0 109.396 -179.845 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 11.8 Cg_endo -89.04 -15.4 2.5 Favored 'Trans proline' 0 N--CA 1.476 0.492 0 C-N-CA 124.852 3.701 . . . . 0.0 109.971 179.753 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -136.89 80.87 35.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 O-C-N 121.407 -0.808 . . . . 0.0 109.462 179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -88.73 112.89 0.66 Allowed 'Trans proline' 0 N--CA 1.478 0.604 1 C-N-CA 125.422 4.082 . . . . 0.0 110.047 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.544 HG22 ' N ' ' A' ' 49' ' ' CYS . 53.1 m -103.51 164.5 11.62 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.275 -0.891 . . . . 0.0 109.696 -179.404 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.707 ' SG ' HD12 ' A' ' 74' ' ' ILE . 57.6 m -115.97 -35.66 4.36 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.303 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -66.38 -7.79 21.37 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.72 52.48 2.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.447 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 41.82 63.81 1.22 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.036 0.446 . . . . 0.0 111.173 -179.58 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 67.67 80.44 0.21 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.378 -0.826 . . . . 0.0 109.28 179.037 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.36 -55.88 24.54 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.342 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.496 ' O ' HG22 ' A' ' 90' ' ' ILE . . . -151.49 15.81 0.85 Allowed Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 108.576 -1.81 . . . . 0.0 108.576 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.67 171.17 14.92 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 118.024 -1.47 . . . . 0.0 108.767 179.859 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.37 130.91 48.37 Favored 'General case' 0 C--O 1.225 -0.214 0 O-C-N 120.834 -1.166 . . . . 0.0 108.246 179.787 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.73 -35.64 56.26 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.688 -0.632 . . . . 0.0 110.045 -179.037 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.35 0.37 54.12 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.061 -1.024 . . . . 0.0 109.477 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.62 -179.16 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.366 -0.834 . . . . 0.0 109.987 -179.653 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -116.4 123.4 47.47 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.382 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 9.6 t -79.42 136.65 37.01 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.268 -0.895 . . . . 0.0 109.217 -179.786 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.47 151.99 39.98 Favored 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.206 -0.934 . . . . 0.0 109.692 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -131.63 14.87 4.92 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.313 -0.867 . . . . 0.0 109.159 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.89 -178.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.365 -0.835 . . . . 0.0 109.682 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.1 t0 56.45 17.48 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.373 -0.829 . . . . 0.0 109.761 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.87 -67.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.244 -0.91 . . . . 0.0 109.483 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 113.42 174.58 18.98 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.4 ' HB2' ' CD ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER 56.25 -165.73 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.23 -1.159 . . . . 0.0 109.48 -179.914 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.59 -47.2 5.44 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.269 -0.894 . . . . 0.0 109.546 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.24 -103.65 0.07 OUTLIER Glycine 0 CA--C 1.529 0.922 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' CD ' ' HB2' ' A' ' 69' ' ' SER . 0.0 OUTLIER 57.6 179.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.234 -1.156 . . . . 0.0 109.601 179.935 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -58.42 154.68 13.3 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.378 -0.826 . . . . 0.0 109.61 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.707 HD12 ' SG ' ' A' ' 49' ' ' CYS . 5.8 mm -130.44 136.41 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 O-C-N 121.371 -0.83 . . . . 0.0 109.206 -179.825 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.45 142.88 45.64 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.142 -0.974 . . . . 0.0 109.599 -179.855 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 57.4 m -96.7 160.01 14.61 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.282 -0.886 . . . . 0.0 109.409 179.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -143.6 101.04 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.346 -0.846 . . . . 0.0 109.108 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 125.85 29.97 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.25 -0.906 . . . . 0.0 109.109 -179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.441 HG23 ' H ' ' A' ' 79' ' ' THR . 0.1 OUTLIER -91.51 -5.85 53.49 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.245 -0.91 . . . . 0.0 109.716 -179.687 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.85 169.16 13.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 121.213 -0.929 . . . . 0.0 109.402 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.41 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 14.3 Cg_endo -89.56 -49.18 0.03 OUTLIER 'Trans proline' 0 N--CA 1.479 0.621 1 C-N-CA 125.319 4.013 . . . . 0.0 110.238 179.846 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.41 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -83.77 21.87 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 O-C-N 121.329 -0.857 . . . . 0.0 109.082 179.787 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.29 121.12 16.23 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.492 -0.755 . . . . 0.0 109.421 -179.849 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -140.87 75.09 25.4 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 121.35 -0.844 . . . . 0.0 109.406 -179.692 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -30.67 115.46 0.05 OUTLIER 'Trans proline' 0 N--CA 1.482 0.832 1 C-N-CA 126.097 4.531 . . . . 0.0 111.126 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.528 HD11 ' CD2' ' A' ' 5' ' ' HIS . 24.6 mt -75.47 -38.73 59.42 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.52 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.516 ' CD2' HD22 ' A' ' 31' ' ' LEU . 6.8 m-85 -105.7 -104.01 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -121.4 26.95 8.57 Favored 'General case' 0 C--N 1.316 -0.874 0 O-C-N 121.771 -0.581 . . . . 0.0 109.643 179.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.15 -18.65 13.96 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 119.674 -1.25 . . . . 0.0 110.241 179.506 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.738 HD12 ' CE2' ' A' ' 91' ' ' PHE . 1.7 pt -61.51 -20.97 24.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 O-C-N 120.928 -1.337 . . . . 0.0 109.457 -179.723 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.738 ' CE2' HD12 ' A' ' 90' ' ' ILE . 18.9 m-85 -138.96 92.69 2.62 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.108 -0.995 . . . . 0.0 109.627 179.814 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 25.0 m -83.17 63.18 7.03 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.068 -1.02 . . . . 0.0 109.399 179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.457 ' HB3' HD21 ' A' ' 86' ' ' LEU . 26.8 t -71.47 -148.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.197 -0.939 . . . . 0.0 109.544 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.5 m -121.88 134.04 54.87 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.242 -0.911 . . . . 0.0 109.427 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.4 -176.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.274 -0.891 . . . . 0.0 109.578 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.444 179.991 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.3 m120 . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 mm -80.12 86.63 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 O-C-N 121.21 -0.931 . . . . 0.0 109.355 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -91.66 164.74 13.63 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 121.318 -0.864 . . . . 0.0 109.428 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -64.5 -11.95 39.18 Favored 'General case' 0 C--N 1.332 -0.196 0 O-C-N 121.192 -0.943 . . . . 0.0 109.217 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.451 ' CG ' HD11 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -63.58 -17.46 62.86 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.292 -0.88 . . . . 0.0 109.406 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.56 98.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.393 -0.817 . . . . 0.0 109.484 -179.836 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 78.4 m -72.23 152.48 42.18 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 121.327 -0.858 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 9' ' ' LYS . 11.2 t -78.06 -121.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 O-C-N 121.214 -0.929 . . . . 0.0 109.444 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' N ' HG12 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -76.66 58.42 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.256 -0.903 . . . . 0.0 109.488 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.95 -72.76 0.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.284 -0.885 . . . . 0.0 109.383 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 62.37 165.23 0.1 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.252 -0.905 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.12 158.86 0.69 Allowed Pre-proline 0 CA--C 1.534 0.35 0 O-C-N 121.117 -0.989 . . . . 0.0 109.648 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -31.1 152.41 0.02 OUTLIER 'Trans proline' 0 N--CA 1.483 0.87 1 C-N-CA 126.486 4.791 . . . . 0.0 111.739 -178.917 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.79 177.84 2.88 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 121.393 -0.817 . . . . 0.0 109.126 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.0 m120 56.74 21.65 6.14 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -179.222 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' A' ' 30' ' ' CYS . 14.8 t -151.77 146.77 25.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 -179.271 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.11 150.29 17.19 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.58 164.6 26.4 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.156 -1.203 . . . . 0.0 108.91 179.675 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' A' ' 91' ' ' PHE . 53.3 t80 -156.4 99.11 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.045 -1.035 . . . . 0.0 110.021 -179.36 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HA ' ' CB ' ' A' ' 26' ' ' GLU . 1.7 ttp180 -72.13 -111.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.284 -0.885 . . . . 0.0 108.859 179.142 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.504 ' CD2' ' CE1' ' A' ' 19' ' ' PHE . 15.5 m-70 58.44 -153.77 0.37 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.436 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 1.0 OUTLIER 58.73 12.22 2.13 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.372 -0.83 . . . . 0.0 109.507 -179.852 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.9 -42.1 0.3 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -162.69 12.31 0.07 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 121.14 -0.975 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 22' ' ' LEU . 2.4 mtp180 -112.19 116.66 30.81 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 120.864 -1.147 . . . . 0.0 109.73 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' CB ' ' HA ' ' A' ' 20' ' ' ARG . 2.0 mp0 -113.76 151.87 31.37 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.311 -0.868 . . . . 0.0 109.516 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -153.71 164.14 38.8 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.193 -0.942 . . . . 0.0 109.865 179.876 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -103.45 108.31 19.51 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 121.474 -0.766 . . . . 0.0 108.981 179.783 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.15 136.88 48.69 Favored 'General case' 0 C--N 1.332 -0.189 0 O-C-N 121.281 -0.887 . . . . 0.0 109.23 -179.563 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.417 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 3.5 m -54.34 159.06 2.11 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 121.179 -0.95 . . . . 0.0 109.929 -179.507 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.8 mt -75.98 -164.77 0.4 Allowed 'General case' 0 CA--C 1.532 0.277 0 O-C-N 121.396 -0.815 . . . . 0.0 109.971 -179.639 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.592 ' HG ' HG23 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -70.68 154.75 41.56 Favored 'General case' 0 N--CA 1.462 0.166 0 O-C-N 121.398 -0.814 . . . . 0.0 110.009 -179.944 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 m120 59.72 12.52 2.98 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.479 -0.763 . . . . 0.0 109.924 179.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.416 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 23.5 m-85 -126.28 121.34 32.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.299 -0.875 . . . . 0.0 109.403 179.805 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -101.24 -170.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.311 -0.868 . . . . 0.0 108.964 179.372 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -119.93 130.87 55.01 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.569 -0.707 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -145.16 114.89 7.29 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.241 -0.912 . . . . 0.0 109.551 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.57 -102.23 1.09 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.7 -1.36 . . . . 0.0 109.7 179.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.8 13.3 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.271 -1.135 . . . . 0.0 109.435 -179.829 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -143.32 133.91 25.01 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 121.235 -0.916 . . . . 0.0 109.355 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.6 m -69.96 151.79 45.2 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 121.156 -0.965 . . . . 0.0 109.17 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.514 HG23 ' HG3' ' A' ' 35' ' ' LYS . 31.1 m -129.17 168.92 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 121.274 -0.891 . . . . 0.0 109.607 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -69.38 116.04 9.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.139 -0.976 . . . . 0.0 109.438 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.629 HD22 ' H ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -79.85 123.72 83.65 Favored Pre-proline 0 CA--C 1.536 0.417 0 O-C-N 121.268 -0.895 . . . . 0.0 109.335 -179.945 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.521 ' CD ' HD22 ' A' ' 44' ' ' ASN . 14.5 Cg_endo -90.28 -15.58 1.91 Allowed 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 124.705 3.603 . . . . 0.0 110.1 179.688 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.629 ' H ' HD22 ' A' ' 44' ' ' ASN . 3.1 p30 -146.41 90.09 5.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 O-C-N 121.33 -0.856 . . . . 0.0 109.671 -179.918 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -89.15 132.64 2.29 Favored 'Trans proline' 0 N--CA 1.478 0.607 0 C-N-CA 125.284 3.989 . . . . 0.0 109.675 179.594 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.887 HG21 ' CG ' ' A' ' 51' ' ' GLU . 7.5 t -112.22 -162.33 0.79 Allowed 'General case' 0 C--N 1.331 -0.2 0 O-C-N 121.223 -0.923 . . . . 0.0 110.166 -179.305 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.446 ' N ' HG23 ' A' ' 48' ' ' THR . 61.1 m -151.5 -35.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -179.892 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -68.31 -1.49 6.4 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.509 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.887 ' CG ' HG21 ' A' ' 48' ' ' THR . 66.2 mm-40 -97.64 50.38 1.05 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 179.257 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 p30 41.6 72.79 0.15 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.715 -179.293 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.54 HD21 ' N ' ' A' ' 57' ' ' ASP . 10.8 t-20 70.66 81.6 0.16 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.755 0.788 . . . . 0.0 110.115 179.55 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.49 -58.07 16.49 Favored Glycine 0 N--CA 1.451 -0.308 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 178.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.634 ' O ' HG22 ' A' ' 90' ' ' ILE . . . -141.34 12.73 2.77 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.538 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.445 ' C ' HD21 ' A' ' 53' ' ' ASN . 36.0 m -77.8 -164.64 0.53 Allowed 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.916 -1.344 . . . . 0.0 109.255 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.54 ' N ' HD21 ' A' ' 53' ' ' ASN . 60.6 t0 -54.26 -98.65 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.318 -0.864 . . . . 0.0 110.201 179.442 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -161.93 -47.09 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -179.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -100.67 -9.84 21.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 178.814 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.38 168.15 15.02 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.676 -0.64 . . . . 0.0 109.672 179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -99.96 119.54 38.4 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.302 -0.874 . . . . 0.0 109.207 179.707 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.3 t -79.68 140.48 37.01 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.234 -0.916 . . . . 0.0 109.481 -179.797 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.73 148.26 52.49 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.282 -0.886 . . . . 0.0 109.163 179.739 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -141.99 -0.22 1.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.153 -0.967 . . . . 0.0 109.677 -179.808 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -74.59 71.87 1.9 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.08 -1.013 . . . . 0.0 109.503 -179.849 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -161.98 -173.68 3.79 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 121.183 -0.948 . . . . 0.0 109.439 179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 t 176.1 168.27 0.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.209 -0.932 . . . . 0.0 109.478 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.62 29.3 1.18 Allowed Glycine 0 CA--C 1.529 0.936 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.6 t -138.5 -123.81 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.187 -1.184 . . . . 0.0 109.487 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -97.39 -82.77 0.41 Allowed 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.301 -0.874 . . . . 0.0 109.442 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.27 -112.43 1.3 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.52 147.04 25.73 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.3 -1.118 . . . . 0.0 109.493 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.25 143.26 33.86 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.205 -0.934 . . . . 0.0 109.312 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.3 mm -139.94 116.43 9.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 121.228 -0.92 . . . . 0.0 109.616 -179.851 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.75 158.52 21.73 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.24 -0.913 . . . . 0.0 109.206 179.776 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 92.2 m -130.64 111.46 12.23 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.202 -0.936 . . . . 0.0 109.558 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.17 91.73 5.69 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.164 -0.96 . . . . 0.0 108.773 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.04 137.25 34.35 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.172 -0.955 . . . . 0.0 110.629 -178.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 79' ' ' THR . 5.9 m -125.81 81.97 2.03 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.869 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -136.69 170.43 10.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.088 -1.007 . . . . 0.0 109.604 -179.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -92.83 139.42 1.74 Allowed 'Trans proline' 0 N--CA 1.477 0.529 1 C-N-CA 125.597 4.198 . . . . 0.0 110.235 179.691 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.78 3.87 2.69 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.217 -0.927 . . . . 0.0 109.598 179.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.422 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 11.9 m -95.98 135.44 37.74 Favored 'General case' 0 C--O 1.223 -0.309 0 O-C-N 121.214 -0.929 . . . . 0.0 108.814 179.826 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.422 ' CD1' ' O ' ' A' ' 83' ' ' SER . 16.3 m-85 -150.13 145.83 19.31 Favored Pre-proline 0 N--CA 1.465 0.32 0 O-C-N 121.242 -0.911 . . . . 0.0 108.913 -179.602 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -35.36 100.76 0.03 OUTLIER 'Trans proline' 0 N--CA 1.483 0.911 1 C-N-CA 125.496 4.131 . . . . 0.0 109.741 179.609 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.451 HD11 ' CG ' ' A' ' 5' ' ' HIS . 80.9 mt -88.46 -20.25 25.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.227 -0.921 . . . . 0.0 110.027 -179.017 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.663 ' CD2' HD11 ' A' ' 90' ' ' ILE . 96.5 m-85 -143.69 -42.21 0.28 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.031 -1.043 . . . . 0.0 110.241 -179.349 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.41 15.33 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.272 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 138.87 -21.56 3.01 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 119.214 -1.469 . . . . 0.0 111.02 179.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.663 HD11 ' CD2' ' A' ' 87' ' ' PHE . 1.5 pt -63.26 -7.98 3.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 119.945 -1.915 . . . . 0.0 108.749 179.514 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.508 ' CD1' ' CD1' ' A' ' 19' ' ' PHE . 79.9 m-85 -154.47 93.26 1.57 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.827 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.52 -176.51 3.07 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 120.811 -1.18 . . . . 0.0 112.069 -177.342 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -105.26 -61.09 1.53 Allowed 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.547 179.608 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 m -170.58 48.59 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 O-C-N 121.442 -0.787 . . . . 0.0 109.452 -179.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.7 t -58.33 134.17 56.35 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.198 -0.939 . . . . 0.0 109.412 179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.0 t30 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.007 -0.997 . . . . 0.0 109.41 179.955 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.538 ' O ' HG22 ' A' ' 2' ' ' ILE . 6.8 mm -113.77 88.22 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 121.298 -0.877 . . . . 0.0 109.423 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p -91.36 155.4 18.52 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 121.312 -0.867 . . . . 0.0 109.408 179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.61 125.72 14.58 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.245 -0.909 . . . . 0.0 109.497 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.06 28.95 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.249 -0.907 . . . . 0.0 109.399 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -54.84 -87.27 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.228 -0.92 . . . . 0.0 109.384 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.68 -170.37 1.99 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.221 -0.925 . . . . 0.0 109.52 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.9 t -104.85 -45.76 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 O-C-N 121.275 -0.891 . . . . 0.0 109.631 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -171.57 99.56 0.19 Allowed 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.186 -0.946 . . . . 0.0 109.668 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.13 158.12 27.05 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.318 -0.864 . . . . 0.0 109.414 179.843 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -87.94 158.51 18.65 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.253 -0.905 . . . . 0.0 109.495 -179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 4.8 t -157.12 142.12 12.26 Favored Pre-proline 0 CA--C 1.536 0.422 0 O-C-N 121.311 -0.868 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 21.5 Cg_endo -89.98 159.2 4.92 Favored 'Trans proline' 0 N--CA 1.479 0.632 0 C-N-CA 124.549 3.499 . . . . 0.0 110.344 179.652 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -55.6 175.64 0.08 Allowed 'General case' 0 CA--C 1.531 0.235 0 O-C-N 121.242 -0.911 . . . . 0.0 109.419 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.856 ' HA ' HD12 ' A' ' 31' ' ' LEU . 1.3 m-20 55.55 36.71 27.71 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.209 -0.932 . . . . 0.0 109.33 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.6 t -164.45 118.51 1.39 Allowed 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.252 -0.905 . . . . 0.0 109.568 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.35 156.03 22.02 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 179.64 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.41 154.77 20.93 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 121.102 -1.234 . . . . 0.0 109.555 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -163.97 134.44 4.3 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.284 -0.885 . . . . 0.0 109.412 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -74.61 147.04 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.234 -0.916 . . . . 0.0 109.174 179.847 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.53 ' C ' ' H ' ' A' ' 23' ' ' ASP . 6.1 m170 -77.48 13.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 121.168 -0.957 . . . . 0.0 109.647 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 21' ' ' HIS . 3.1 mm? 64.35 -10.09 0.15 Allowed 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.71 -0.619 . . . . 0.0 110.022 -179.119 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.53 ' H ' ' C ' ' A' ' 21' ' ' HIS . 35.1 p-10 -116.95 45.69 1.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.158 -0.964 . . . . 0.0 109.18 179.829 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 71.65 -42.14 0.52 Allowed 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.739 -0.601 . . . . 0.0 110.063 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -61.85 145.65 52.05 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 121.008 -1.058 . . . . 0.0 109.509 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -121.18 138.79 54.05 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.231 -0.918 . . . . 0.0 109.129 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.63 178.03 7.9 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.146 -0.971 . . . . 0.0 109.658 -179.801 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.33 121.81 33.64 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.316 -0.865 . . . . 0.0 109.449 -179.893 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -104.2 137.7 41.74 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.23 -0.919 . . . . 0.0 108.904 179.744 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 34' ' ' TYR . 3.5 m -54.34 162.3 1.12 Allowed 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.199 -0.938 . . . . 0.0 109.638 -179.639 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 15' ' ' ASN . 16.5 mt -74.6 -166.8 0.48 Allowed 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.336 -0.852 . . . . 0.0 109.876 -179.481 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HG ' HG21 ' A' ' 90' ' ' ILE . 4.4 mt -71.56 155.55 40.42 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.293 -0.88 . . . . 0.0 109.408 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.8 m120 57.03 18.4 3.98 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.238 -0.914 . . . . 0.0 109.351 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.405 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 22.9 m-85 -128.71 118.88 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.358 -0.839 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' HG3' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -97.19 -171.33 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.265 -0.897 . . . . 0.0 109.219 179.783 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -133.53 129.69 37.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.549 -0.72 . . . . 0.0 109.345 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -138.64 95.21 2.94 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.232 -0.917 . . . . 0.0 109.496 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.09 -97.57 2.27 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.626 -1.389 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -138.8 13.16 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.252 -1.146 . . . . 0.0 109.57 -179.889 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.47 130.03 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.224 -0.922 . . . . 0.0 109.5 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 61.1 m -77.13 151.72 35.24 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 121.314 -0.866 . . . . 0.0 109.514 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.43 HG23 ' HG3' ' A' ' 35' ' ' LYS . 31.7 m -132.35 177.84 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 O-C-N 121.129 -0.982 . . . . 0.0 109.24 179.765 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.48 115.99 15.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.093 -1.004 . . . . 0.0 109.374 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.428 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.3 t-20 -78.04 128.05 79.84 Favored Pre-proline 0 CA--C 1.535 0.374 0 O-C-N 121.334 -0.854 . . . . 0.0 109.339 -179.906 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 44' ' ' ASN . 18.3 Cg_endo -90.93 -15.98 1.54 Allowed 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 124.721 3.614 . . . . 0.0 110.071 179.764 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -154.04 84.22 4.11 Favored Pre-proline 0 C--N 1.33 -0.279 0 O-C-N 121.216 -0.927 . . . . 0.0 109.646 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -90.72 163.17 4.16 Favored 'Trans proline' 0 N--CA 1.476 0.494 1 C-N-CA 125.539 4.159 . . . . 0.0 109.921 179.778 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.492 HG22 ' CG ' ' A' ' 51' ' ' GLU . 10.7 t -163.03 -162.96 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.127 -0.983 . . . . 0.0 109.823 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 77.5 m -102.43 -25.07 13.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.381 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -13.42 20.57 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.003 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.492 ' CG ' HG22 ' A' ' 48' ' ' THR . 2.1 mt-10 -75.78 49.36 0.52 Allowed 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.208 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p30 41.24 61.99 1.62 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.102 0.477 . . . . 0.0 109.963 -178.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.408 ' ND2' ' HB2' ' A' ' 56' ' ' CYS . 0.8 OUTLIER 69.5 56.24 0.36 Allowed 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 -179.145 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -46.2 12.37 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 179.796 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.52 -18.21 74.04 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 179.721 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.408 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -111.46 172.45 6.88 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 121.134 -1.215 . . . . 0.0 110.233 -179.893 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.21 -93.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 O-C-N 121.391 -0.818 . . . . 0.0 109.501 179.91 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.53 -10.33 0.3 Allowed 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.394 -0.816 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.41 -15.86 2.78 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 121.274 -0.891 . . . . 0.0 109.524 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.53 176.66 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.106 -0.996 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.14 121.75 42.38 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 121.156 -0.965 . . . . 0.0 109.433 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.4 t -90.67 149.32 22.12 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.31 -0.869 . . . . 0.0 109.515 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.75 150.11 35.63 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.248 -0.908 . . . . 0.0 109.526 -179.862 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -135.74 15.57 3.36 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 121.256 -0.903 . . . . 0.0 109.362 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -73.66 168.35 19.52 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 121.307 -0.871 . . . . 0.0 109.621 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 59.02 166.78 0.05 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.374 -0.829 . . . . 0.0 110.094 179.571 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.3 m -150.53 -170.41 3.65 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.238 -0.914 . . . . 0.0 109.382 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 165.9 -22.12 0.12 Allowed Glycine 0 CA--C 1.528 0.902 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.8 t -89.29 -149.53 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 O-C-N 121.207 -1.172 . . . . 0.0 109.377 -179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.89 -33.89 6.39 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.287 -0.883 . . . . 0.0 109.358 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.93 -113.26 3.36 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.53 136.9 50.07 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 121.307 -1.113 . . . . 0.0 109.48 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.81 145.16 24.78 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.199 -0.938 . . . . 0.0 109.244 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 74' ' ' ILE . 1.0 OUTLIER -137.68 116.01 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 121.195 -0.941 . . . . 0.0 109.601 -179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.07 177.75 4.57 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.325 -0.86 . . . . 0.0 109.318 179.892 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -156.31 162.25 40.12 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.239 -0.913 . . . . 0.0 110.149 -179.892 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -153.52 103.03 2.62 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -76.59 102.07 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.257 -0.902 . . . . 0.0 109.342 -179.716 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -77.33 42.62 0.35 Allowed 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.272 -0.892 . . . . 0.0 109.671 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -122.31 168.36 11.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 O-C-N 121.218 -0.926 . . . . 0.0 109.295 179.925 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HD2' ' H ' ' A' ' 82' ' ' ASP . 11.2 Cg_endo -87.41 -44.49 0.04 OUTLIER 'Trans proline' 0 N--CA 1.478 0.581 0 C-N-CA 125.14 3.894 . . . . 0.0 110.08 179.84 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.403 ' H ' ' HD2' ' A' ' 81' ' ' PRO . 2.8 m-20 -81.93 15.81 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 121.248 -0.908 . . . . 0.0 109.199 179.681 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.3 p -63.65 104.81 0.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.336 -0.852 . . . . 0.0 109.515 -179.855 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.517 ' H ' ' H ' ' A' ' 93' ' ' SER . 6.9 m-85 -127.01 69.57 73.56 Favored Pre-proline 0 C--N 1.329 -0.294 0 O-C-N 121.273 -0.892 . . . . 0.0 109.228 179.893 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -32.2 150.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.481 0.741 1 C-N-CA 126.168 4.579 . . . . 0.0 110.807 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 91' ' ' PHE . 74.6 mt -117.9 -46.33 2.64 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.235 -0.915 . . . . 0.0 109.594 -179.87 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -108.82 -13.16 14.81 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 121.145 -0.972 . . . . 0.0 109.531 -179.758 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 166.82 -48.56 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.894 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.58 8.29 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 109.35 -1.5 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.662 HD12 ' CE2' ' A' ' 91' ' ' PHE . 1.5 pt -89.23 17.15 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 O-C-N 121.23 -1.159 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.662 ' CE2' HD12 ' A' ' 90' ' ' ILE . 70.6 m-85 -154.2 37.89 0.44 Allowed 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.317 -0.864 . . . . 0.0 109.436 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 4.4 m -56.01 116.16 2.83 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.123 -0.985 . . . . 0.0 109.378 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.517 ' H ' ' H ' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -58.29 151.63 19.12 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.25 -0.906 . . . . 0.0 109.417 179.978 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.17 154.6 12.76 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.322 -0.861 . . . . 0.0 109.431 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -174.62 102.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.272 -0.893 . . . . 0.0 109.377 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 118.018 -0.992 . . . . 0.0 109.399 -179.966 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 CA--C 1.529 0.17 0 CA-C-O 121.271 0.558 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 84' ' ' TYR . 8.0 mm -86.51 29.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 121.202 -0.936 . . . . 0.0 109.538 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.95 -151.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.229 -0.919 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 65.62 148.04 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 O-C-N 121.265 -0.897 . . . . 0.0 109.484 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.455 ' CE1' ' ND1' ' A' ' 21' ' ' HIS . 1.8 m-70 57.49 29.68 17.45 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 121.306 -0.871 . . . . 0.0 109.456 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -67.15 -108.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.298 -0.876 . . . . 0.0 109.347 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.02 162.35 0.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 O-C-N 121.334 -0.854 . . . . 0.0 109.012 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.757 HG11 HH11 ' A' ' 20' ' ' ARG . 0.9 OUTLIER -164.12 123.96 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 O-C-N 121.044 -1.035 . . . . 0.0 109.88 -179.681 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.2 mttt 53.28 55.52 8.65 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 121.417 -0.802 . . . . 0.0 109.749 179.649 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -166.6 125.86 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.203 -0.936 . . . . 0.0 109.509 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -121.28 89.02 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.291 -0.881 . . . . 0.0 109.271 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.0 173.38 2.62 Favored Pre-proline 0 CA--C 1.532 0.258 0 O-C-N 121.161 -0.962 . . . . 0.0 108.874 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -89.36 165.34 5.45 Favored 'Trans proline' 0 N--CA 1.478 0.57 1 C-N-CA 125.343 4.028 . . . . 0.0 110.587 -179.827 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -57.05 175.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.319 -0.863 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.771 ' HA ' HD12 ' A' ' 31' ' ' LEU . 3.8 m120 55.25 26.33 8.39 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.192 -0.942 . . . . 0.0 109.282 -179.915 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.52 163.15 40.14 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.255 -0.903 . . . . 0.0 109.501 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.81 -168.94 11.95 Favored Glycine 0 CA--C 1.532 1.097 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.0 t -111.44 153.64 25.82 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.103 -1.233 . . . . 0.0 110.154 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.525 ' CE1' ' CD1' ' A' ' 91' ' ' PHE . 0.3 OUTLIER -148.51 106.47 3.71 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.754 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.757 HH11 HG11 ' A' ' 8' ' ' VAL . 29.9 ttp180 -128.96 85.3 2.31 Favored 'General case' 0 CA--C 1.53 0.191 0 O-C-N 121.11 -0.994 . . . . 0.0 110.413 -179.157 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.48 ' NE2' ' CZ ' ' A' ' 19' ' ' PHE . 0.9 OUTLIER 177.97 -179.61 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.56 -0.712 . . . . 0.0 109.384 179.065 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 mt 65.95 3.9 2.79 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.771 0.796 . . . . 0.0 109.694 -179.768 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' H ' ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -171.0 4.89 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 179.588 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.418 ' H ' ' H ' ' A' ' 23' ' ' ASP . 19.3 mt-10 51.64 23.62 2.02 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 121.245 0.545 . . . . 0.0 109.611 -179.905 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -110.8 169.56 8.68 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.23 -0.919 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' OE2' HG13 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -115.57 125.79 53.41 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.232 -0.918 . . . . 0.0 109.6 -179.808 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -145.63 159.36 43.26 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 121.233 -0.917 . . . . 0.0 109.672 179.831 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 69.7 m -109.9 126.79 54.23 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 121.384 -0.822 . . . . 0.0 109.275 179.77 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HG2' ' H ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -107.19 176.34 5.2 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.22 -0.925 . . . . 0.0 108.76 179.695 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.419 ' H ' ' HG2' ' A' ' 29' ' ' LYS . 4.1 m -98.36 158.71 15.41 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 120.995 -1.065 . . . . 0.0 108.757 179.474 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 15' ' ' ASN . 40.9 mt -73.77 -169.18 0.68 Allowed 'General case' 0 C--N 1.332 -0.19 0 O-C-N 121.068 -1.02 . . . . 0.0 109.632 -179.582 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.795 ' HG ' HG22 ' A' ' 90' ' ' ILE . 2.1 mt -71.81 158.14 36.63 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.222 -0.924 . . . . 0.0 109.139 179.769 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.2 16.56 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 121.259 -0.9 . . . . 0.0 109.157 -179.757 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.408 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 14.1 m-85 -129.8 118.64 22.1 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.419 -0.8 . . . . 0.0 109.381 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.49 -174.31 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.192 -0.943 . . . . 0.0 109.169 179.574 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.82 148.81 26.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.524 -0.735 . . . . 0.0 109.581 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.62 ' OE1' HG11 ' A' ' 42' ' ' VAL . 52.7 tt0 -160.32 113.14 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.178 -0.951 . . . . 0.0 109.474 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.8 -92.63 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -139.07 -0.02 1.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.195 -1.179 . . . . 0.0 109.584 -179.84 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -129.29 133.98 47.73 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 121.22 -0.925 . . . . 0.0 109.529 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 55.6 m -70.73 137.81 50.0 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.211 -0.93 . . . . 0.0 109.235 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.62 HG11 ' OE1' ' A' ' 37' ' ' GLU . 21.5 m -110.34 179.35 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 O-C-N 121.204 -0.935 . . . . 0.0 109.674 -179.902 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.22 142.69 41.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.396 -0.815 . . . . 0.0 109.29 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.84 65.91 37.07 Favored Pre-proline 0 C--N 1.332 -0.175 0 O-C-N 121.242 -0.911 . . . . 0.0 109.707 -179.753 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -36.49 -31.17 0.1 OUTLIER 'Trans proline' 0 N--CA 1.481 0.756 1 C-N-CA 125.803 4.335 . . . . 0.0 110.407 179.476 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -128.72 98.72 24.21 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 121.332 -0.855 . . . . 0.0 109.549 -179.741 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -86.44 169.56 8.26 Favored 'Trans proline' 0 N--CA 1.481 0.737 0 C-N-CA 125.006 3.804 . . . . 0.0 109.964 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.789 HG21 ' HG3' ' A' ' 51' ' ' GLU . 12.5 t -152.53 -142.58 0.12 Allowed 'General case' 0 CA--C 1.532 0.258 0 O-C-N 121.045 -1.035 . . . . 0.0 110.055 -179.605 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.593 ' N ' HG23 ' A' ' 48' ' ' THR . 73.2 m -148.94 -46.17 0.14 Allowed 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.621 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -68.52 4.68 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 O-C-N 121.568 -0.708 . . . . 0.0 110.137 -179.534 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.789 ' HG3' HG21 ' A' ' 48' ' ' THR . 80.4 mt-10 -108.74 58.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 121.049 -1.032 . . . . 0.0 108.757 179.605 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.74 75.95 0.08 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.113 0.483 . . . . 0.0 110.092 -179.425 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.498 HD22 ' C ' ' A' ' 56' ' ' CYS . 0.5 OUTLIER 63.75 92.14 0.07 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 122.386 1.089 . . . . 0.0 108.866 -179.608 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.472 ' HA3' ' H ' ' A' ' 48' ' ' THR . . . -87.77 24.3 10.99 Favored Glycine 0 CA--C 1.519 0.31 0 N-CA-C 107.928 -2.069 . . . . 0.0 107.928 179.595 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.464 ' O ' HD21 ' A' ' 32' ' ' LEU . . . 127.93 -5.08 6.94 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 -178.902 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.498 ' C ' HD22 ' A' ' 53' ' ' ASN . 99.1 m -111.01 132.51 54.16 Favored 'General case' 0 CA--C 1.526 0.057 0 O-C-N 121.232 -1.158 . . . . 0.0 108.909 179.471 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 56' ' ' CYS . 0.0 OUTLIER -28.62 123.49 0.12 Allowed 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.417 0.627 . . . . 0.0 111.431 -179.261 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.9 -26.91 39.05 Favored 'General case' 0 CA--C 1.53 0.175 0 O-C-N 121.321 -0.862 . . . . 0.0 109.896 -179.31 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.29 -4.58 51.5 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.276 -0.89 . . . . 0.0 109.223 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.435 ' HB2' ' HB2' ' A' ' 57' ' ' ASP . . . -91.34 -179.32 5.37 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 121.325 -0.859 . . . . 0.0 110.026 -179.777 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -102.66 103.8 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 179.209 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.7 t -84.73 131.57 34.55 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.476 -0.765 . . . . 0.0 109.305 -179.633 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.87 147.01 46.24 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.123 -0.986 . . . . 0.0 109.834 -179.47 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.06 11.29 8.87 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 121.343 -0.848 . . . . 0.0 109.403 179.907 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -83.74 106.92 15.83 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.264 -0.898 . . . . 0.0 109.675 -179.799 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 58.72 167.44 0.05 Allowed 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.409 -0.807 . . . . 0.0 110.012 179.575 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.2 t -176.61 -81.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 O-C-N 121.077 -1.015 . . . . 0.0 109.464 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 148.79 -0.8 0.55 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.7 m -80.88 -171.51 3.21 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 121.242 -1.152 . . . . 0.0 109.436 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -116.69 -24.23 7.83 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 121.213 -0.929 . . . . 0.0 109.426 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.38 -104.98 2.03 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 151.22 22.14 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 121.214 -1.168 . . . . 0.0 109.421 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.0 104.94 15.17 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.284 -0.885 . . . . 0.0 109.387 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -145.45 135.79 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 O-C-N 121.372 -0.83 . . . . 0.0 109.404 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.4 145.83 41.49 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 121.214 -0.929 . . . . 0.0 109.664 -179.891 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 m -119.29 119.22 33.38 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.261 -0.899 . . . . 0.0 109.381 -179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -129.22 108.41 10.32 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.139 -0.976 . . . . 0.0 109.527 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 13.3 m -72.41 97.88 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 121.225 -0.922 . . . . 0.0 109.141 179.796 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.8 t -62.36 -10.78 12.31 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 121.234 -0.916 . . . . 0.0 109.494 -179.776 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.68 171.77 0.28 Allowed Pre-proline 0 C--N 1.328 -0.35 0 O-C-N 121.171 -0.956 . . . . 0.0 109.731 -179.83 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -92.03 137.07 1.75 Allowed 'Trans proline' 0 N--CA 1.476 0.45 1 C-N-CA 125.615 4.21 . . . . 0.0 109.626 179.505 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 63.01 12.98 6.33 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.061 -1.024 . . . . 0.0 108.878 -179.514 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.2 p -67.66 128.39 36.29 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.497 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . 5.6 m-85 -141.99 101.41 5.84 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 121.191 -0.943 . . . . 0.0 109.288 -179.135 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.497 ' HD2' ' HA ' ' A' ' 84' ' ' TYR . 23.4 Cg_exo -32.4 116.55 0.08 OUTLIER 'Trans proline' 0 N--CA 1.483 0.887 1 C-N-CA 125.393 4.062 . . . . 0.0 111.212 -179.487 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.52 -48.08 61.64 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.062 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.727 ' CD1' HD11 ' A' ' 90' ' ' ILE . 62.9 m-85 -103.95 -117.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 178.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.544 ' HB3' HD12 ' A' ' 32' ' ' LEU . 25.8 t0 -106.82 32.24 4.71 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 121.422 -0.799 . . . . 0.0 109.485 179.356 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 108.75 15.21 13.67 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 119.613 -1.279 . . . . 0.0 110.288 179.5 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.795 HG22 ' HG ' ' A' ' 32' ' ' LEU . 1.4 pt -88.11 -27.49 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 120.847 -1.384 . . . . 0.0 109.125 179.811 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.525 ' CD1' ' CE1' ' A' ' 19' ' ' PHE . 21.7 m-85 -130.19 175.12 9.17 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.678 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 13.4 m -138.67 124.7 20.05 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 120.9 -1.125 . . . . 0.0 109.324 179.812 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.41 ' H ' ' H ' ' A' ' 84' ' ' TYR . 5.8 t -55.73 -82.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.235 -0.916 . . . . 0.0 109.436 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.3 t 63.63 51.11 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 121.043 -1.036 . . . . 0.0 109.47 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.42 175.77 3.82 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.227 -0.921 . . . . 0.0 109.464 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.986 -1.006 . . . . 0.0 109.534 -179.962 . . . . . . . . 1 1 . 1 stop_ save_